SCHEMBL6709892

SCHEMBL6709892

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2ccc(NC(=O)c3ccco3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.41
NPC1 O15118 8/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
ROCK2 O75116 1/20 0.40
PKM P14618 2/20 0.40
USP2 O75604 1/20 0.39
PYGM P11217 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
TP53 P04637 4/20 0.38
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.37
POLB P06746 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL6708544 0.89 ALDH1A1 (0.47) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6707687 0.89 PYGM (0.39) KMT2AMEN1ROCK2PYGMROCK1
SCHEMBL6710124 0.89 NPC1 (0.43) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6710082 0.89 ROCK2 (0.37) ROCK2SMN1; SMN2TP53HSD17B10ROCK1
SCHEMBL6710565 0.86 ROCK2 (0.43) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6710026 0.85 ROCK2 (0.41) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6713177 0.85 NAMPT (0.39) ROCK2SMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL6713409 0.85 TDP2 (0.42) ROCK2ROCK1GRM4
SCHEMBL6707688 0.84 ADORA2B (0.38) ROCK2USP2ALDH1A1NPSR1KDM4E
SCHEMBL6710317 0.84 ROCK1 (0.45) RAB9ANPC1KMT2AMEN1ROCK1

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 RAB9A 3732/4885NPC1 3891/4885MAPT 4754/4885

“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.