SCHEMBL6833849

SCHEMBL6833849

COc1ccc(-c2cnc(C(=O)Nc3ccc(C#N)cc3C(=O)O)cn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.47
AVPR1A P37288 3/20 0.45
ALB P02768 2/20 0.45
SCN9A Q15858 1/20 0.42
CSF1R P07333 1/20 0.41
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
LRRK2 Q5S007 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PTGER4 P35408 1/20 0.39
PPARG P37231 1/20 0.38
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
F10 P00742 1/20 0.38
STING1 Q86WV6 1/20 0.38

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
SCHEMBL6818963 0.89 ALB (0.49) OXTRAVPR1AALBMEN1USP2
SCHEMBL6834161 0.85 PPARG (0.44) ALBMEN1KMT2APPARGPYGL
SCHEMBL6818821 0.83 ALB (0.46) ALBEGLN1PPARGF10
SCHEMBL6834176 0.83 ALB (0.61) ALBMEN1USP2PABPC1KMT2A
SCHEMBL6833952 0.80 ALB (0.43) OXTRAVPR1AALBMEN1KMT2A
SCHEMBL6822721 0.78 GSK3A (0.45) OXTRAVPR1AALBMEN1KMT2A
SCHEMBL6833934 0.78 KMT2A (0.47) ALBMEN1KMT2AEGLN1PPARG
SCHEMBL6814626 0.77 ALB (0.43) ALBF10GPR6
SCHEMBL6818799 0.77 PLK1 (0.50) ALBMEN1KMT2A
SCHEMBL6818622 0.77 DHODH (0.46) ALBPYGLPYGMSTING1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 OXTR 2613/4885AVPR1A 3815/4885ALB 1417/4885

“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.