SCHEMBL6833952

SCHEMBL6833952

COc1ccc(-c2cnc(C(=O)Nc3ccc(C#N)cc3C(=O)O)cn2)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.43
OXTR P30559 3/20 0.41
AVPR1A P37288 2/20 0.40
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
STING1 Q86WV6 1/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LTC4S Q16873 1/20 0.37
GPR6 P46095 2/20 0.37
P4HTM Q9NXG6 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
F10 P00742 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL6833849 0.80 OXTR (0.47) ALBOXTRAVPR1APYGLPYGM
SCHEMBL6818963 0.80 ALB (0.49) ALBOXTRAVPR1APYGLPYGM
SCHEMBL6822721 0.80 GSK3A (0.45) ALBOXTRAVPR1APYGLPYGM
SCHEMBL6834161 0.78 PPARG (0.44) ALBPYGLPYGMHTTF10
SCHEMBL6818622 0.78 DHODH (0.46) ALBPYGLPYGMSTING1P4HTM
SCHEMBL6819024 0.76 KMO (0.43) ALBPYGLPYGMMEN1KMT2A
SCHEMBL6833934 0.76 KMT2A (0.47) ALBPYGLPYGMSTING1F10
SCHEMBL6355599 0.75 LMNA (0.56) ALBHTTABL1RIN1TDP1
SCHEMBL6818821 0.75 ALB (0.46) ALBF10
SCHEMBL6814626 0.75 ALB (0.43) ALBHSD17B10GPR6F10

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 ALB 1417/4885OXTR 2613/4885AVPR1A 3815/4885

“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.