SCHEMBL2017958

SCHEMBL2017958

Cc1ccc(-c2[nH][nH]c(=O)c2-c2cn3c4c(cccc24)CCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPA1 O60313 1/20 0.40
EIF5B O60841 1/20 0.40
MET P08581 1/20 0.40
HMOX2 P30519 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
GSK3B P49841 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PARP1 P09874 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 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
SCHEMBL2020543 0.90 HSD17B10 (0.44) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2020158 0.89 OPA1 (0.40) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2018145 0.89 OPA1 (0.39) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2015557 0.85 OPA1 (0.41) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2017097 0.83 OPA1 (0.39) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2015795 0.82 HTR2A (0.43) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2016690 0.81 GSK3B (0.40) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2020981 0.79 HTR2A (0.42) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2020595 0.79 HTR2A (0.42) HPGDHSD17B10USP2ALDH1A1OPA1
SCHEMBL2021104 0.78 CDK4 (0.39) HPGDHSD17B10USP2ALDH1A1OPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 HPGD 39/4885HSD17B10 974/4885USP2 3841/4885

“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.