SCHEMBL7799889

SCHEMBL7799889

CC(C(=O)N(C)C)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS2 P35354 3/20 0.46
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7237905 0.86 PTGS2 (0.59) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL7238037 0.80 PTGS2 (0.55) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL6928281 0.80 TLR8 (0.43) CYP1A2HPGDCYP2C19PTGS2MEN1
SCHEMBL7237929 0.80 PTGS2 (0.57) CCNB2CDK1CCNB1CCNB3PTGS2
SCHEMBL7242332 0.79 PTGS2 (0.54) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL7241664 0.77 PTGS2 (0.57) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL7242934 0.76 PTGS2 (0.51) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL27587312 0.75 TSPO (0.53) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL27568324 0.72 ALOX5 (0.53) TSPOCCNB2CDK1CCNB1CCNB3
SCHEMBL7799897 0.72 TSPO (0.64) TSPOKDM4EALDH1A1CYP1A2CYP3A4

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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 TSPO 2379/4885CCNB2 1283/4885CDK1 705/4885

“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.