SCHEMBL6313469

SCHEMBL6313469

CCOC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 1/20 0.52
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
NPC1 O15118 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TRPC1 P48995 1/20 0.50
TRPC3 Q13507 1/20 0.50
STIM1 Q13586 1/20 0.50
ORAI1 Q96D31 1/20 0.50
STIM2 Q9P246 1/20 0.50
GPR119 Q8TDV5 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL508870 0.88 MAPT (0.79) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL8343590 0.86 MAPT (0.60) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL15167355 0.86 ALDH1A1 (0.59) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL6180207 0.86 MAPT (0.67) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL6319475 0.86 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL23889103 0.86 MAPK1 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6052641 0.84 ALDH1A1 (0.60) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL20647142 0.84 MAPT (0.49) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL15167569 0.83 ALDH1A1 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL5680826 0.82 ALDH1A1 (0.60) MAPTALDH1A1RAB9ASMN1; SMN2TSHR

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-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
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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 (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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 MAPT 4418/4885ALDH1A1 642/4885RAB9A 2117/4885

“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.