SCHEMBL10242392

SCHEMBL10242392

CC(=O)c1sc(C)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NTRK1 P04629 1/20 0.58
MEN1 O00255 3/20 0.54
RXFP1 Q9HBX9 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.51
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CDC7 O00311 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL27729658 0.88 NTRK1 (0.59) SMN1; SMN2RAB9AALDH1A1NTRK1NPSR1
SCHEMBL275863 0.88 NTRK1 (0.59) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL956697 0.86 CDC7 (0.61) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10242397 0.83 ADORA3 (0.61) SMN1; SMN2ALDH1A1NTRK1NPSR1LMNA
SCHEMBL10242419 0.82 ALDH1A1 (0.61) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL276196 0.82 NTRK1 (0.57) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL330400 0.81 ALDH1A1 (0.65) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8823153 0.80 ALDH1A1 (0.75) KMT2AALDH1A1MEN1RXFP1NPSR1
SCHEMBL19625316 0.79 KMT2A (0.55) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14726028 0.79 KMT2A (0.55) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KMT2A 3504/4885SMN1; SMN2 4828/4885RAB9A 3162/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 KMT2A 302/4885SMN1; SMN2 4693/4885RAB9A 2827/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KMT2A 720/4885SMN1; SMN2 3035/4885RAB9A 842/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KMT2A 4486/4885SMN1; SMN2 4852/4885RAB9A 997/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KMT2A 720/4885SMN1; SMN2 3035/4885RAB9A 842/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KMT2A 199/4885SMN1; SMN2 4695/4885RAB9A 2704/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR KMT2A 210/4885SMN1; SMN2 4709/4885RAB9A 2770/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KMT2A 937/4885SMN1; SMN2 4614/4885RAB9A 3815/4885

“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.