SCHEMBL3828155

SCHEMBL3828155

CCCCCCc1csc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.50
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.44
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.41
ATM Q13315 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL9729165 1.00 NOS1 (0.50) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
SCHEMBL14643881 1.00 NOS1 (0.50) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
SCHEMBL11588307 1.00 NOS1 (0.50) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
SCHEMBL44477 0.98 NOS1 (0.51) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
Ammonia Solution, Strong SCHEMBL28007740 0.96 NOS1 (0.50) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
SCHEMBL2373929 0.92 NOS1 (0.53) NOS1SMN1; SMN2ALDH1A1GABRA5GABRB2
Acetamide SCHEMBL9942181 0.89 GABRA5 (0.50) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
SCHEMBL5911714 0.84
Pyridine SCHEMBL27812107 0.82 NOS1 (0.51) NOS1KCNH2SMN1; SMN2ALDH1A1GABRA5
SCHEMBL8937107 0.81 KCNH2 (0.52) KCNH2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107586282-A A kind of method of the visible optical drive synthesis aminothiazole of 4 alkyl or aryl 2 兰州大学 2018-01-16 CN disclosed
US-8940856-B2 Heterocyclic compound and heterocyclic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-27 US disclosed
US-20140100352-A1 HETEROCYCLIC COMPOUND AND HETEROCYCLIC POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-10 US disclosed
CN-101627022-A Heterocyclic compound and heterocyclic polymer SUMITOMO CHEMICAL CO 2010-01-13 CN disclosed
US-20090318651-A1 HETEROCYCLIC COMPOUND AND HETEROCYCLIC POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-24 US disclosed
EP-2128146-A1 HETEROCYCLIC COMPOUNDS AND HETEROCYCLIC POLYMERS Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP disclosed
US-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 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-20090318651-A1 HETEROCYCLIC COMPOUND AND HETEROCYCLIC POLYMERS H1-3, H1-2, H1-5 NOS1 1256/4885KCNH2 119/4885SMN1; SMN2 2674/4885

“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.