SCHEMBL6240657

SCHEMBL6240657

Cc1ccnn1-c1ccc(C(N)=O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
KAT6A Q92794 3/20 0.41
ACVR1 Q04771 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
GPR52 Q9Y2T5 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR2 P30518 2/20 0.37
TYK2 P29597 2/20 0.36
SCN9A Q15858 3/20 0.35
KCNH2 Q12809 1/20 0.35
NR3C2 P08235 2/20 0.35
RPS6KB1 P23443 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL6240644 0.80 ALDH1A1 (0.53) DGAT1KAT6ARAB9ASMN1; SMN2SCN9A
SCHEMBL1787266 0.80 ALDH1A1 (0.51) KAT6AKDM5AKDM4CKDM5BLMNA
SCHEMBL5111285 0.79 CA12 (0.47) DGAT1ACVR1LMNARAB9ASMN1; SMN2
SCHEMBL3715832 0.78 ACVR1 (0.43) KAT6AACVR1KDM5AKDM4CKDM5B
SCHEMBL3829145 0.77 ALDH1A1 (0.38) KAT6AKDM5AKDM4CKDM5BLMNA
SCHEMBL30788259 0.75 ALDH1A1 (0.48) KDM5AKDM4CKDM5BNR3C2PARP1
SCHEMBL6275691 0.73 PDE4A (0.46) DGAT1ACVR1NR3C2
SCHEMBL6591701 0.73 SIGMAR1 (0.48) DGAT1ACVR1GPR52RAB9ASMN1; SMN2
SCHEMBL14130164 0.72 AVPR2 (0.48) KAT6AKDM5AKDM4CKDM5BAVPR2
SCHEMBL6243545 0.72 KAT6A (0.48) DGAT1KAT6ALMNAAVPR2PARP1

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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
EP-1539686-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US disclosed
WO-2004024679-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2004-03-25 WO disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 DGAT1 4416/4885KAT6A 4421/4885ACVR1 2010/4885

“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.