SCHEMBL4384415

SCHEMBL4384415

Cc1nc(-c2ccc(F)cc2)ncc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
KDM4E B2RXH2 2/20 0.63
XDH P47989 2/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.47
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL403150 0.85 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL3228101 0.84 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL28758109 0.84 KDM4E (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5736742 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3213900 0.82 HPGDS (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL22283553 0.82 NPC1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL3222314 0.81 HPGDS (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL5014336 0.81 FOS (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL22573586 0.81 NPC1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4636265 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
US-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
EP-1606289-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004072069-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-08-26 WO 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S SMN1; SMN2 4671/4885ALDH1A1 871/4885NPC1 1707/4885
US-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 SMN1; SMN2 1722/4885ALDH1A1 1895/4885NPC1 2461/4885

“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.