SCHEMBL6710160

SCHEMBL6710160

CCCCCOc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PLA2G2A P14555 6/20 0.35
PLA2G10 O15496 2/20 0.35
PLA2G1B P04054 2/20 0.35
PLA2G5 P39877 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CNR2 P34972 3/20 0.34
AGER Q15109 2/20 0.33
PDE5A O76074 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL6710259 0.93 BRD4 (0.36) SMN1; SMN2HSD17B10LMNAMAPTBRD4
SCHEMBL6708800 0.93 KDM1A (0.34) SMN1; SMN2HSD17B10LMNAMAPTBRD4
SCHEMBL6710416 0.91 BRD4 (0.32) SMN1; SMN2HSD17B10LMNAMAPTBRD4
SCHEMBL6710086 0.89 MET (0.38) LMNAMAPTRXFP1
SCHEMBL6710036 0.89 KDM1A (0.39) BRD4CNR2PPARG
SCHEMBL6712425 0.89 TP53 (0.38) TP53TSHRPLA2G2ASMN1; SMN2LMNA
SCHEMBL6709189 0.89 GRIK1 (0.39) TP53TSHRLMNAMAPTRXFP1
SCHEMBL6707891 0.89 HSD17B10 (0.33) TP53TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL6707657 0.88 ALK (0.40) SMN1; SMN2HSD17B10LMNAMAPTRXFP1
SCHEMBL6707654 0.88 ALK (0.40) SMN1; SMN2HSD17B10LMNAMAPTRXFP1

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 TP53 2699/4885TSHR 3901/4885PLA2G2A 4662/4885

“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.