SCHEMBL6708937

SCHEMBL6708937

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2ccc(OCC3CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.42
RCOR1 Q9UKL0 5/20 0.39
USP30 Q70CQ3 2/20 0.37
GPR35 Q9HC97 1/20 0.36
MCHR1 Q99705 6/20 0.36
ACACB O00763 2/20 0.36
KDR P35968 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6713361 0.97 KDM1A (0.41) KDM1ARCOR1USP30GPR35MCHR1
SCHEMBL6711941 0.91 KDM1A (0.42) KDM1ARCOR1MCHR1ACACB
SCHEMBL6714039 0.89 KDM1A (0.44) KDM1ARCOR1MCHR1MAOA
SCHEMBL6708959 0.88 AKR1C2 (0.41) GPR35
SCHEMBL6710106 0.88 KDM1A (0.42) KDM1ARCOR1MCHR1
SCHEMBL6707636 0.87 GPR35 (0.46) GPR35
SCHEMBL6707752 0.86 KDM1A (0.43) KDM1ARCOR1MCHR1MAOA
SCHEMBL6713419 0.86 SRD5A2 (0.44) KDM1ARCOR1GPR35MAOA
SCHEMBL6713543 0.85 KDM1A (0.41) KDM1ARCOR1USP30MCHR1ACACB
SCHEMBL6713492 0.84 GPR35 (0.37) USP30GPR35

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 KDM1A 620/4885RCOR1 3366/4885USP30 442/4885

“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.