SCHEMBL508901

SCHEMBL508901

O/N=C(\Cl)Cc1ccc(COc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LTA4H P09960 1/20 0.36
MAPK14 Q16539 1/20 0.36
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GABRA5 P31644 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 2/20 0.33
FURIN P09958 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL508902 1.00 NPC1 (0.52) NPC1CYP2D6CYP2C19ALDH1A1LTA4H
SCHEMBL511067 0.85 NPC1 (0.44) NPC1CYP2D6CYP2C19ALDH1A1
SCHEMBL511068 0.85 NPC1 (0.44) NPC1CYP2D6CYP2C19ALDH1A1
SCHEMBL510177 0.84 LTA4H (0.43) NPC1CYP2D6CYP2C19ALDH1A1LTA4H
SCHEMBL1106895 0.84 LTA4H (0.43) NPC1CYP2D6CYP2C19ALDH1A1LTA4H
SCHEMBL509915 0.82 ALDH1A1 (0.50) NPC1CYP2D6CYP2C19ALDH1A1L3MBTL1
SCHEMBL509914 0.82 ALDH1A1 (0.50) NPC1CYP2D6CYP2C19ALDH1A1L3MBTL1
SCHEMBL510372 0.81 FFAR1 (0.41) NPC1CYP2D6CYP2C19LTA4HRAB9A
SCHEMBL510373 0.81 FFAR1 (0.41) NPC1CYP2D6CYP2C19LTA4HRAB9A
SCHEMBL10055039 0.80 NPC1 (0.68) NPC1CYP2D6CYP2C19ALDH1A1LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810115-B1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP BASILEA PHARMACEUTICA INT AG ALLSCHWIL (CH) 2024-07-17 EP disclosed
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-09-09 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
EP-2628738-B1 Heterocyclic substituted pyridine derivatives and antifungal agent containing same EISAI R&D MAN CO LTD (JP) 2014-09-03 EP disclosed
EP-2628738-B1 Heterocyclic substituted pyridine derivatives and antifungal agent containing same EISAI R&D MAN CO LTD (JP) 2014-09-03 EP disclosed
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 EP disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
US-20080275244-A1 HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE'S SALT OR CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275244-A1 HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE'S SALT OR CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275244-A1 HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE'S SALT OR CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-11-06 US disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
EP-1944303-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2008-07-16 EP disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 NPC1 1237/4885CYP2D6 501/4885CYP2C19 1469/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 NPC1 1201/4885CYP2D6 375/4885CYP2C19 707/4885
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP ERG28, PDXK, PAH NPC1 1336/4885CYP2D6 148/4885CYP2C19 118/4885
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group ERG28, PDXK, PAH NPC1 1336/4885CYP2D6 148/4885CYP2C19 118/4885
US-20080275244-A1 HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE'S SALT OR CRYSTAL THEREOF PDXK, REN, JAK2 NPC1 4237/4885CYP2D6 2851/4885CYP2C19 698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.