SCHEMBL509255

SCHEMBL509255

CCCCOCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
APP P05067 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 2/20 0.41
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL26882643 0.92 LMNA (0.49) IDO1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL647523 0.89 L3MBTL1 (0.49) LMNAL3MBTL1TDP1MAPK1ALDH1A1
SCHEMBL8418497 0.88 IDO1 (0.50) IDO1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL9347078 0.86 IDO1 (0.36) IDO1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL9347610 0.85 IDO1 (0.52) IDO1APPL3MBTL1TDP1MAOB
SCHEMBL134086 0.85 IDO1 (0.61) IDO1APPMAOBRXRARXRB
SCHEMBL196575 0.83 NAAA (0.47) CYP1A2CYP2D6CYP2C19L3MBTL1TDP1
SCHEMBL4757401 0.83 IDO1 (0.50) IDO1LMNAAPPMAOBNPC1
SCHEMBL9750481 0.83 L3MBTL1 (0.45) CYP1A2CYP2D6CYP2C19LMNAL3MBTL1
SCHEMBL9342149 0.83 IDO1 (0.58) IDO1APPMAOBRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119639249-A Blue dichroic dye and application thereof 烟台海森大数据有限公司 2025-03-18 CN disclosed
EP-3106485-B1 POLYMER OR OLIGOMER, HOLE TRANSPORT MATERIAL COMPOSITION, AND ORGANIC ELECTRONIC ELEMENT USING SAME HITACHI CHEMICAL CO LTD (JP) 2020-02-05 EP disclosed
CN-105899508-B Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2017-07-04 CN disclosed
CN-105899508-A Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection 豪夫迈·罗氏有限公司 2016-08-24 CN disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 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
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-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
CN-101300250-A Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD (JP) 2008-11-05 CN 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
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN 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 (2 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 IDO1 1229/4885CYP1A2 544/4885CYP2D6 501/4885
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 IDO1 337/4885CYP1A2 310/4885CYP2D6 375/4885

“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.