SCHEMBL6709930

SCHEMBL6709930

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2c(Br)ccc(NC(=O)Cc3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.37
LMNA P02545 1/20 0.35
RORC P51449 2/20 0.34
IDO1 P14902 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA2B P29275 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
GPR35 Q9HC97 1/20 0.32
BRPF1 P55201 2/20 0.31
ABCB1 P08183 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL6710244 0.92 PARP14 (0.34) PARP14LMNARORCIDO1GAA
SCHEMBL6710409 0.90 GRIK1 (0.36) PARP14LMNAGAAKDM4EALDH1A1
SCHEMBL6710187 0.89 F11 (0.40) PARP14LMNARORCGAAKDM4E
SCHEMBL6709946 0.85 LMNA (0.36) PARP14LMNARORCIDO1GAA
SCHEMBL6710110 0.85 GRIK1 (0.32) GPR35
SCHEMBL6709143 0.82 ALDH1A1 (0.35) PARP14LMNARORCALDH1A1ADORA2B
SCHEMBL6710089 0.82 NTRK1 (0.33) PARP14LMNARORCIDO1GAA
SCHEMBL6708764 0.82 GRIK1 (0.32) GPR35
SCHEMBL6711947 0.82 GRIK1 (0.35) LMNAGAAKDM4EALDH1A1ADORA2B
SCHEMBL6830543 0.82 ALDH1A1 (0.43) PARP14LMNARORCGAAKDM4E

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PARP14 2597/4885LMNA 4062/4885RORC 1202/4885

“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.