SCHEMBL940391

SCHEMBL940391

CCOC(=O)c1cc2cc(Br)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 1/20 0.43
CCR2 P41597 2/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL832448 0.91 F10 (0.61) F10NOD2NOD1LMNAGLA
SCHEMBL4414074 0.88 NOD2 (0.65) F10NOD2NOD1LMNAMAPT
SCHEMBL941399 0.87 F10 (0.54) F10NOD2NOD1LMNAGLA
SCHEMBL939884 0.85 F10 (0.52) F10NOD2NOD1LMNAGLA
SCHEMBL3979074 0.85 F10 (0.52) F10NOD2NOD1LMNAGLA
SCHEMBL6432762 0.85 CCR2 (0.58) F10NOD2NOD1LMNAMAPT
SCHEMBL939920 0.84 CCR2 (0.59) F10CCR2
SCHEMBL4945148 0.83 NOD2 (0.72) F10NOD2NOD1LMNAMAPT
SCHEMBL2816895 0.82 F10 (0.51) F10NOD2NOD1LMNAGLA
SCHEMBL6302592 0.82 NOD2 (0.57) F10NOD2NOD1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 US disclosed
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US 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-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, INMT, IDO1 F10 2604/4885NOD2 2417/4885NOD1 1582/4885

“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.