SCHEMBL6319271

SCHEMBL6319271

Cc1nn(-c2cccc(C(F)(F)F)c2)nc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.66
POLB P06746 2/20 0.65
MAPT P10636 1/20 0.57
KMT2A Q03164 2/20 0.55
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
KAT2B Q92831 1/20 0.51
PIN1 Q13526 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALKBH5 Q6P6C2 1/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
Hydrochloric Acid SCHEMBL6312872 0.85 POLB (0.49) PKMPOLBMAPTKMT2ANOTUM
SCHEMBL27593819 0.84 MAPT (0.64) PKMPOLBMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL6312864 0.81 MAPT (0.53) PKMPOLBMAPTKMT2AKDM4E
SCHEMBL6314682 0.81 PKM (0.75) PKMPOLBMAPTKMT2ANOTUM
SCHEMBL316035 0.80 KDM4E (0.75) PKMPOLBMAPTKMT2AKDM4E
SCHEMBL3327114 0.80 PKM (1.00) PKMPOLBMAPTKMT2ANOTUM
SCHEMBL9184563 0.79 POLB (1.00) POLBKMT2ANOTUM
Hydrochloric Acid SCHEMBL19118816 0.79 KDM4E (0.73) PKMPOLBMAPTKMT2AKDM4E
SCHEMBL6314635 0.78 PKM (0.71) PKMPOLBMAPTKMT2AKDM4E
SCHEMBL6313339 0.77 PKM (0.69) PKMMAPTKMT2ANOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050002887-A1 Cosmetic composition comprising at least one branched sulphonic polyester and at least one conditioning agent L'OREAL S.A. 2005-01-06 US claimed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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-20050002887-A1 Cosmetic composition comprising at least one branched sulphonic polyester and at least one conditioning agent KRT18, FHIT, CUTA PKM 580/4885POLB 2877/4885MAPT 2594/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 PKM 3050/4885POLB 2803/4885MAPT 4418/4885

“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.