SCHEMBL17697553

SCHEMBL17697553

CCc1ccc(Cl)c2c(NC(=O)C(C)C)nn(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RECQL P46063 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 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
SCHEMBL17621512 0.93 CASP1 (0.34) CASP1CASP7HSD17B10MEN1KMT2A
SCHEMBL17697582 0.86 NR3C2 (0.34) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17697579 0.86 CYP3A4 (0.41) CASP1CASP7HSD17B10MEN1KMT2A
SCHEMBL16006510 0.86 KDM4E (0.45) CASP1CASP7HSD17B10MEN1KMT2A
SCHEMBL17621602 0.84 SMN1; SMN2 (0.37) CASP1CASP7HSD17B10MEN1KMT2A
SCHEMBL19788774 0.82 CASP1 (0.38) CASP1CASP7HSD17B10MEN1KMT2A
SCHEMBL16158000 0.82 KMT2A (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17621574 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16158001 0.80 CRHR1 (0.36) KDM4EMAPTGSK3B
SCHEMBL17621604 0.79 KMT2A (0.43) HSD17B10MEN1KMT2AALDH1A1MAPT

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-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CASP1 1229/4885CASP7 1150/4885HSD17B10 967/4885

“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.

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