SCHEMBL3511564

SCHEMBL3511564

c1ccc2c(c1)SC1=NCCN12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.63
NPC1 O15118 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC8 Q9BY41 6/20 0.45
HDAC4 P56524 4/20 0.45
DNMT1 P26358 1/20 0.43
RAD52 P43351 1/20 0.43
UHRF1 Q96T88 1/20 0.43
GPR6 P46095 2/20 0.40
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL2714532 0.89 IDO1 (0.51) IDO1NPC1LMNAMEN1USP2
SCHEMBL30841489 0.89 IDO1 (0.51) IDO1NPC1LMNAMEN1USP2
Nitric Acid SCHEMBL11217579 0.88 IDO1 (0.51) IDO1NPC1LMNAMEN1USP2
Nitric Acid SCHEMBL11063338 0.79 HDAC8 (0.43) IDO1NPC1LMNAMEN1USP2
SCHEMBL11209768 0.77 IDO1 (0.77) IDO1LMNAMEN1USP2MAPT
SCHEMBL95683 0.77 IDO1 (1.00) IDO1LMNAMEN1USP2MAPT
SCHEMBL11210880 0.76 IDO1 (0.56) IDO1LMNAMEN1USP2MAPT
SCHEMBL7379095 0.75 NPC1 (0.45) IDO1NPC1MEN1USP2KMT2A
Bromide SCHEMBL11262736 0.75 IDO1 (0.55) IDO1LMNAMEN1USP2MAPT
SCHEMBL11208941 0.74 IDO1 (0.57) IDO1NPC1LMNAMEN1USP2

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061450-B1 METHODS OF MODULATING CELL PROLIFERATION AND CYST FORMATION IN POLYCYSTIC KIDNEY AND LIVER DISEASES MEDICAL COLLEGE WISCONSIN INC (US) 2017-04-19 EP claimed
US-7078400-B2 20-HETE synthase inhibitor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-07-18 US claimed
EP-1226819-B1 INHIBITOR FOR 20-HETE-YIELDING ENZYME TAISHO PHARMACEUTICAL CO LTD (JP) 2006-01-18 EP claimed
US-6864254-B1 Inhibitor for 20-hete-yielding enzyme TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-03-08 US claimed
US-20040110830-A1 20-HETE synthase inhibitor TAISHO PHARMACEUTICAL CO., LTD. 2004-06-10 US claimed
EP-1226819-A1 INHIBITOR FOR 20-HETE-YIELDING ENZYME TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-07-31 EP claimed
EP-0814806-A1 USE OF FUSED BENZOTHIAZOLES AS NEUROPROTECTANTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-01-07 EP claimed
WO-1996025931-A2 USE OF FUSED BENZOTHIAZOLES AS NEUROPROTECTANTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-29 WO claimed
EP-0021806-B1 2,3-DIHYDRO-IMIDAZO (2,1-B) BENZOTHIAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-12 EP claimed
US-4364942-A ANTIDEPRESSANTS, INHIBITORS OF MONOAMINE OXIDASE JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-21 US claimed
US-4340738-A ENZYME INHIBITORS, ANTIDEPRESSANTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-07-20 US claimed
US-4262004-A MONOAMINE OXIDASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-04-14 US claimed
EP-0021806-A1 2,3-Dihydro-imidazo (2,1-b) benzothiazole derivatives and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-07 EP claimed
EP-3098217-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER UNIV TOKYO SCIENCE FOUND (JP) 2018-04-25 EP disclosed
EP-2407447-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-04-18 EP disclosed
EP-2061450-B1 METHODS OF MODULATING CELL PROLIFERATION AND CYST FORMATION IN POLYCYSTIC KIDNEY AND LIVER DISEASES MEDICAL COLLEGE WISCONSIN INC (US) 2017-04-19 EP disclosed
US-4262004-A MONOAMINE OXIDASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-04-14 US disclosed
US-4262004-A MONOAMINE OXIDASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-04-14 US disclosed
EP-0021806-A1 2,3-Dihydro-imidazo (2,1-b) benzothiazole derivatives and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-07 EP disclosed
EP-0021806-A1 2,3-Dihydro-imidazo (2,1-b) benzothiazole derivatives and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-07 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-20040110830-A1 20-HETE synthase inhibitor ALOX5, ALOX15, ALOX15B IDO1 782/4885NPC1 2423/4885LMNA 3962/4885

“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.