SCHEMBL914710

SCHEMBL914710

O=c1[nH]cnc2sc3c(c12)CCCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
HTT P42858 4/20 0.97
KMT2A Q03164 3/20 0.97
CHEK1 O14757 1/20 0.97
TSHR P16473 1/20 0.97
NPSR1 Q6W5P4 1/20 0.91
ALDH1A1 P00352 4/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 1/20 0.52
HIF1A Q16665 1/20 0.52
BRD4 O60885 3/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
MEN1 O00255 2/20 0.51
LIMK1 P53667 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL736600 0.98 HTT (1.00) GAAHTTKMT2ACHEK1TSHR
SCHEMBL916128 0.95 NPSR1 (1.00) GAAHTTKMT2ACHEK1TSHR
SCHEMBL6031412 0.81 GAA (0.68) GAAHTTKMT2ACHEK1TSHR
SCHEMBL915757 0.79 HTT (0.68) GAAHTTKMT2ACHEK1TSHR
SCHEMBL3637702 0.79 HTT (0.67) GAAHTTKMT2ACHEK1TSHR
SCHEMBL4694133 0.79 HTT (0.67) GAAHTTKMT2ACHEK1TSHR
SCHEMBL4691404 0.78 HTT (0.65) GAAHTTKMT2ACHEK1TSHR
SCHEMBL2951788 0.77 NPSR1 (0.68) GAAHTTKMT2ACHEK1TSHR
SCHEMBL14459794 0.77 HTT (0.63) GAAHTTKMT2ACHEK1TSHR
SCHEMBL939440 0.76 KDM4E (0.64) GAAHTTKMT2ACHEK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015114663-A1 NOVEL THIENO [2,3-D]PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIMYCOBACTERIAL PROPERTIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-06 WO disclosed
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 US disclosed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 GAA 1036/4885HTT 3172/4885KMT2A 2584/4885
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 GAA 1193/4885HTT 4221/4885KMT2A 4174/4885

“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.