SCHEMBL620758

SCHEMBL620758

O=Cc1cc(-c2cccs2)on1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 7/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9564367 0.73 RAB9A (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL513704 0.73 RAB9A (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4140149 0.73 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8377420 0.73 RAB9A (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4140152 0.73 RAB9A (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL189929 0.73 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12051092 0.72 THRB (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL619636 0.72 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL28019211 0.72 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL28551086 0.71 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (8 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 RAB9A 334/4885SMN1; SMN2 14/4885NPC1 1167/4885
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 RAB9A 2087/4885SMN1; SMN2 3995/4885NPC1 3709/4885
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 RAB9A 1566/4885SMN1; SMN2 4878/4885NPC1 706/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 RAB9A 2257/4885SMN1; SMN2 13/4885NPC1 2053/4885
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT RAB9A 2359/4885SMN1; SMN2 3414/4885NPC1 4476/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA RAB9A 2280/4885SMN1; SMN2 964/4885NPC1 254/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 RAB9A 2968/4885SMN1; SMN2 4383/4885NPC1 2963/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH RAB9A 2337/4885SMN1; SMN2 3912/4885NPC1 745/4885

“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.