SCHEMBL510273

SCHEMBL510273

O=Cc1ccc(OCc2ccccn2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 2/20 0.50
PARP10 Q53GL7 1/20 0.48
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
FFAR1 O14842 1/20 0.44
SYK P43405 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAOA P21397 1/20 0.42
PTPN1 P18031 1/20 0.42
PDE10A Q9Y233 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL15474538 0.84 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL15177163 0.84 MAPT (0.56) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL16485523 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL14455031 0.83 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2PARP10TLR4
SCHEMBL17003815 0.82 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL16485612 0.82 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL15475165 0.82 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL510595 0.81 TLR4 (0.66) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL510594 0.81 TLR4 (0.66) KDM4EALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL15475096 0.81 TUBB1 (0.61) KDM4EALDH1A1SMN1; SMN2MAPTPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907805-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2020-07-22 EP disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP 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-1944303-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROCYCLE AND FUNGICIDE CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2013-08-21 EP disclosed
EP-2141171-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOAMINO AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-01-06 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-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

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

For each of this compound's patents that has machine-readable text (4 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 KDM4E 3045/4885ALDH1A1 3642/4885SMN1; SMN2 3817/4885
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 KDM4E 1711/4885ALDH1A1 3327/4885SMN1; SMN2 4687/4885
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT KDM4E 4095/4885ALDH1A1 1975/4885SMN1; SMN2 1788/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT KDM4E 4095/4885ALDH1A1 1975/4885SMN1; SMN2 1788/4885

“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.