SCHEMBL6833872

SCHEMBL6833872

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(OCC3CC3)c21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.43
ALB P02768 3/20 0.40
RCOR1 Q9UKL0 5/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAP2K1 Q02750 2/20 0.38
TRPM4 Q8TD43 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.37
GPR6 P46095 3/20 0.37
MRGPRX1 Q96LB2 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
SCHEMBL6834267 0.97 KDM1A (0.42) KDM1AALBRCOR1RXFP1MAP2K1
SCHEMBL6834029 0.96 KDM1A (0.42) KDM1AALBRCOR1RXFP1TRPM4
SCHEMBL6830121 0.91 ALB (0.40) KDM1AALBRXFP1TRPM4LMNA
SCHEMBL6814183 0.88 MRGPRX4 (0.43) ALBRXFP1TRPM4LMNAMAPT
SCHEMBL6830475 0.88 ALB (0.46) KDM1AALBRXFP1TRPM4LMNA
SCHEMBL6835610 0.87 SMN1; SMN2 (0.40) KDM1AALBRXFP1LMNAMAPT
SCHEMBL6833983 0.86 AKR1C2 (0.42) KDM1AALBRCOR1RXFP1TRPM4
SCHEMBL6834260 0.86 GPR6 (0.41) KDM1AMAOAGPR6
SCHEMBL6834153 0.86 PLK1 (0.44) ALBRXFP1TRPM4LMNAMAPT
SCHEMBL6834429 0.86 ALB (0.36) KDM1AALBRXFP1TRPM4LMNA

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 KDM1A 371/4885ALB 1417/4885RCOR1 3086/4885

“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.