SCHEMBL13737750

SCHEMBL13737750

COc1ccc2nc3cc(Br)ccc3c(C(N)CCCN(C)CC3CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.38
▸ USP2 O75604 4/20 0.37
▸ APP P05067 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ HBB P68871 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CGAS Q8N884 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ BRCA1 P38398 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ ABCB1 P08183 1/20 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
SCHEMBL13737764 0.89 USP2 (0.48) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13739384 0.84 USP2 (0.45) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13832353 0.80 MEN1 (0.48) ACHEMEN1KMT2ATDP1FLT3
SCHEMBL15732771 0.79 USP2 (0.57) USP2APPTP53CYP3A4CASP1
SCHEMBL15732799 0.78 KDM4E (0.46) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13739626 0.78 USP2 (0.49) USP2APPTP53CYP3A4CASP1
SCHEMBL13739508 0.77 CACNA2D1 (0.41) NPC1ADRA2AACHERAB9AKMT2A
SCHEMBL13739819 0.76 PTGDR2 (0.34) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13739319 0.76 USP2 (0.49) USP2TP53CYP3A4CASP1CASP7
SCHEMBL13740631 0.76 CYP1A2 (0.37) USP2TP53CYP3A4CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US claimed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US claimed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US claimed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — US claimed
WO-2012154879-A2 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2012-11-15 — — WO claimed
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US disclosed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 — — US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 — — US disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — 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 (5 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-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 LSS 1567/4885USP2 2049/4885APP 3235/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS LSS 1283/4885USP2 2797/4885APP 1699/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 LSS 1567/4885USP2 2049/4885APP 3235/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 LSS 1567/4885USP2 2049/4885APP 3235/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 LSS 1567/4885USP2 2049/4885APP 3235/4885

“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.

Send feedback