SCHEMBL2998381

SCHEMBL2998381

Cc1cc(/C=C/c2ccccn2)ccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN1 P18031 1/20 0.44
HNF4A P41235 1/20 0.44
IP6K1 Q92551 1/20 0.44
KDR P35968 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.43
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
LDHA P00338 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL17678714 0.79 PTGS1 (0.71) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709588 0.79 MEN1 (0.55) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709589 0.79 MEN1 (0.55) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL22119769 0.77 IP6K1 (0.56) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL22119768 0.77 IP6K1 (0.56) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL10799253 0.75 PTGS1 (1.00) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL10385359 0.75 PTGS1 (1.00) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL13544099 0.75 PTPN1 (0.46) PTGS2ATMALDH1A1PTPN1HNF4A
SCHEMBL28763813 0.75 PTPN1 (0.46) PTGS2ALDH1A1PTPN1HNF4AKDM4E
SCHEMBL28763809 0.75 PTPN1 (0.46) PTGS2ALDH1A1PTPN1HNF4AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US 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
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

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

For each of this compound's patents that has machine-readable text (1 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 PTGS1 1445/4885PTGS2 1669/4885NPC1 1237/4885

“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.