SCHEMBL6833960

SCHEMBL6833960

Cc1ccccc1-c1ccc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
HIF1A Q16665 5/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PRSS12 P56730 1/20 0.38
ALB P02768 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CDK2 P24941 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CEPT1 Q9Y6K0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 1/20 0.36
SERPINE1 P05121 1/20 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
SCHEMBL6833249 0.93 MCL1 (0.41) MCL1HIF1AMAPTCETPGSK3A
SCHEMBL6834495 0.90 HIF1A (0.41) HIF1APRSS12ALBCDK2ALDH1A1
SCHEMBL6931399 0.90 HIF1A (0.39) MCL1HIF1AMAPTGSK3AGSK3B
SCHEMBL6834680 0.89 ACMSD (0.43) HIF1APRSS12ALBXDHSLC22A12
SCHEMBL6834186 0.89 HIF1A (0.49) HIF1APRSS12ALBXDHSLC22A12
SCHEMBL6835617 0.88 CDK2 (0.42) MCL1HIF1ACETPPRSS12ALB
SCHEMBL6834124 0.87 XDH (0.40) HIF1AMAPTCETPPRSS12ALB
SCHEMBL6818765 0.86 ALB (0.37) HIF1AMAPTGSK3AGSK3BALB
SCHEMBL6818998 0.86 HIF1A (0.39) HIF1AMAPTGSK3AGSK3BALB
SCHEMBL6818903 0.86 PRSS12 (0.40) MCL1MAPTCETPGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCL1 2086/4885HIF1A 220/4885MAPT 4759/4885

“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.