SCHEMBL3346089

SCHEMBL3346089

O=C(Nc1nc2cc[c]cc2s1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
NPC1 O15118 8/20 0.56
RAB9A P51151 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSP90AA1 P07900 1/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ABL1 P00519 3/20 0.52
DYRK1A Q13627 1/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C19 P33261 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
SCHEMBL5969929 0.81 DYRK1A (0.63) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL880500 0.80 GAA (0.76) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4635926 0.79 RAB9A (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1259648 0.76 MAOA (0.87) CASP3SENP8SENP7SENP6NPC1
SCHEMBL1578676 0.76 CASP3 (0.73) CASP3SENP8SENP7SENP6NPC1
SCHEMBL2538617 0.75 NPC1 (0.88) CASP3SENP8SENP7SENP6NPC1
SCHEMBL3525897 0.75 CASP3 (0.71) CASP3SENP8SENP7SENP6NPC1
SCHEMBL6227837 0.74 GAA (0.68) CASP3SENP8SENP7SENP6NPC1
SCHEMBL24987329 0.74 NPC1 (0.75) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4909101 0.73 NPC1 (0.70) CASP3SENP8SENP7SENP6NPC1

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-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-01-14 US disclosed
US-9115134-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2015-08-25 US disclosed
US-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS SANOFI (FR) 2014-01-02 US disclosed
US-8546393-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2013-10-01 US disclosed
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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 (3 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-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF CYP4X1, CYP3A7, CYP4Z1 CASP3 35/4885SENP8 3046/4885SENP7 1610/4885
US-20140005189-A1 NOVEL 6-TRIAZOLOPYRIDAZINE SULFANYL BENZOTHIAZOLE DERIVATIVES AS MET INHIBITORS MET, TPMT, MERTK CASP3 2929/4885SENP8 1120/4885SENP7 1498/4885
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS BMX, MET, TPMT CASP3 2010/4885SENP8 1314/4885SENP7 1733/4885

“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.