SCHEMBL3053636

SCHEMBL3053636

Oc1ccc(Nc2nccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
PLA2G7 Q13093 1/20 0.50
VCP P55072 5/20 0.49
NR4A1 P22736 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
AMY1A P0DUB6 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49

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
Bromide SCHEMBL2363119 0.98 SYK (0.53) SYKPLA2G7VCPNR4A1ALDH1A1
SCHEMBL1091636 0.81 ALDH1A1 (0.58) PLA2G7VCPALDH1A1HTTSMN1; SMN2
SCHEMBL14881017 0.81 MEN1 (0.54) PLA2G7ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL5762561 0.81 PLA2G7 (0.58) PLA2G7ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL2981886 0.81 ALDH1A1 (0.61) SYKPLA2G7ALDH1A1HTTSMN1; SMN2
SCHEMBL899534 0.81 SMN1; SMN2 (0.61) PLA2G7ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL722560 0.80 RAB9A (0.59) PLA2G7ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL17397927 0.80 PLA2G7 (0.49) PLA2G7VCPALDH1A1HTTSMN1; SMN2
SCHEMBL1180559 0.79 GAA (0.55) SMN1; SMN2GAAMAPTLMNAMEN1
SCHEMBL3042388 0.79 MBD2 (0.55) SYKPLA2G7ALDH1A1HTTSMN1; SMN2

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
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
EP-2766359-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES Ambit Biosciences Corporation (US) 2014-08-20 EP disclosed
WO-2013056070-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 WO disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed
CN-1337961-A Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2002-02-27 CN 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 SYK 3473/4885PLA2G7 4400/4885VCP 3381/4885

“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.