SCHEMBL4130406

SCHEMBL4130406

CC(C)N([C]=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
USP2 O75604 1/20 0.41
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3241706 0.78 ESR1 (0.46) ALDH1A1CA2CA12CA9LMNA
SCHEMBL2096457 0.71 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL6325501 0.71 HSD11B1 (0.47) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL28535945 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL3096120 0.70 LMNA (0.42) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL16021810 0.70 ADRB2 (0.48) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL6762420 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL5301480 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL2638479 0.68 LMNA (0.39) ALDH1A1KDM4EALOX15USP2LMNA
SCHEMBL10907104 0.68 CA12 (0.48) ALDH1A1KDM4EHPGDALOX15HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 ALDH1A1 2299/4885KDM4E 2491/4885HPGD 3746/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 ALDH1A1 2299/4885KDM4E 2491/4885HPGD 3746/4885

“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.