SCHEMBL9645864

SCHEMBL9645864

CNc1nc(-c2ccc(Cl)c(Cl)c2)cs1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
ABL1 P00519 10/20 0.68
AR P10275 1/20 0.63
ALOX5 P09917 1/20 0.62
VCP P55072 1/20 0.62
CFTR P13569 1/20 0.57
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL1694253 0.84 ABL1 (0.63) NPC1RAB9AABL1ALOX5VCP
SCHEMBL21301028 0.83 NPC1 (0.58) NPC1RAB9AABL1ARALOX5
SCHEMBL14048212 0.81 NPC1 (1.00) NPC1RAB9AABL1ARALOX5
SCHEMBL205976 0.81 ALOX5 (0.80) RAB9AABL1ALOX5VCPCFTR
SCHEMBL25735740 0.81 ABL1 (1.00) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL18724185 0.78 RAB9A (0.56) NPC1RAB9AABL1ARALOX5
SCHEMBL1914928 0.78 NPC1 (0.70) NPC1RAB9AABL1ARALOX5
SCHEMBL1765095 0.78 MAPT (0.60) NPC1RAB9AABL1ARALOX5
SCHEMBL5698623 0.78 MEN1 (0.69) NPC1RAB9AABL1ALOX5VCP
SCHEMBL8355378 0.78 KDM1A (0.76) ABL1

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-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
EP-0331966-B1 SUBSTITUTED ACRYLIC-ACID ESTERS BAYER AG (DE) 1992-09-23 EP disclosed
US-5120755-A FUNGICIDAL SUBSTITUTED ACRYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
US-4968709-A AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0331966-A1 Substituted acrylic-acid esters BAYER AG (DE) 1989-09-13 EP 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 NPC1 2033/4885RAB9A 3278/4885ABL1 2171/4885

“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.