SCHEMBL6822210

SCHEMBL6822210

Cc1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)noc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
ALB P02768 2/20 0.42
TRPA1 O75762 1/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
PTPN1 P18031 1/20 0.39
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
SERPINE1 P05121 1/20 0.38
GPR6 P46095 1/20 0.38
TSHR P16473 1/20 0.38
PRSS12 P56730 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
SCHEMBL6818254 0.84 SERPINE1 (0.57) CA12CA2CA9SERPINE1CA1
SCHEMBL6818811 0.84 AKR1C2 (0.48) ALDH1A1POLBKMT2ATSHRMEN1
SCHEMBL6830490 0.80 HIF1A (0.55) ALBCDK2
SCHEMBL6833104 0.80 HIF1A (0.49) ALBPTPN1SERPINE1PRSS12CDK2
SCHEMBL6834186 0.80 HIF1A (0.49) ALBHTTPTPN1SERPINE1PRSS12
SCHEMBL6813729 0.78 TDP1 (0.55) ALDH1A1KMT2AMEN1
SCHEMBL6835662 0.78 MEN1 (0.52) ALDH1A1POLBALBKMT2AHTT
SCHEMBL6814319 0.77 SMN1; SMN2 (0.61) ALDH1A1POLBKMT2AHTTTSHR
SCHEMBL6833960 0.77 MCL1 (0.43) ALDH1A1POLBALBGSK3AGSK3B
SCHEMBL6833249 0.77 MCL1 (0.41) ALDH1A1POLBALBGSK3AGSK3B

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 disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885POLB 637/4885ALB 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.