SCHEMBL1307056

SCHEMBL1307056

COc1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.82
▸ SMN1; SMN2 Q16637 11/20 0.82
▸ MEN1 O00255 11/20 0.82
▸ KMT2A Q03164 11/20 0.82
▸ NPC1 O15118 11/20 0.82
▸ RAB9A P51151 11/20 0.82
▸ NFKB1 P19838 3/20 0.78
▸ NFKB2 Q00653 3/20 0.78
▸ RELA Q04206 3/20 0.78
▸ ALDH1A1 P00352 6/20 0.76
▸ HTT P42858 5/20 0.76
▸ GAA P10253 2/20 0.76
▸ HPGD P15428 5/20 0.72
▸ KDM4E B2RXH2 4/20 0.72
▸ LMNA P02545 4/20 0.72
▸ TDP1 Q9NUW8 3/20 0.72
▸ PRNP P04156 1/20 0.72
▸ POLB P06746 1/20 0.72
▸ CASP3 P42574 1/20 0.72
▸ SENP7 Q9BQF6 1/20 0.72

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
SCHEMBL8280120 0.88 NPC1 (0.70) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2114859 0.87 NPC1 (0.68) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2759505 0.87 MAPT (0.86) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14880886 0.85 MAPT (0.84) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2759560 0.84 RAB9A (0.65) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL22600051 0.84 ATAD2 (0.65) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2733120 0.84 NPC1 (0.65) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10531711 0.83 NPC1 (0.63) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL211763 0.83 NPC1 (0.64) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10531725 0.83 NPC1 (0.63) MAPTSMN1; SMN2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 — — EP disclosed
US-8053450-B2 P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-08 — — US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 — — US disclosed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 — — EP disclosed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 — — US disclosed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 — — WO disclosed
US-4369323-A Process for the manufacture of 2,2'-imino-bis-benzothiazole compounds HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-18 — — US disclosed
EP-0029940-A1 Process for the preparation of 2,2'-imino-bis benzothiazole compounds HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-10 — — 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 (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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 MAPT 4134/4885SMN1; SMN2 3860/4885MEN1 2514/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 MAPT 4033/4885SMN1; SMN2 3992/4885MEN1 2601/4885

“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.

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