SCHEMBL2116986

SCHEMBL2116986

NNc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
LMNA P02545 3/20 0.68
PKM P14618 2/20 0.68
GAA P10253 2/20 0.68
SCN4A P35499 2/20 0.68
SCN9A Q15858 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
NFKB1 P19838 2/20 0.68
GMNN O75496 1/20 0.68
USP2 O75604 1/20 0.68
TP53 P04637 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALOX15 P16050 1/20 0.68
SLC6A2 P23975 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68

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
SCHEMBL8430889 0.87 DYRK1A (0.70) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL9776980 0.87 DYRK1A (0.70) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL19850784 0.84 DYRK1A (0.67) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL29975006 0.84 DYRK1A (0.67) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL28878452 0.84 DYRK1A (0.67) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL21568256 0.84 DYRK1A (0.77) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL211725 0.83 DYRK1A (0.65) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL9776965 0.83 DYRK1A (0.65) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL16884504 0.83 DYRK1A (0.65) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL18154477 0.83 DYRK1A (0.81) NPC1RAB9ASMN1; SMN2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US claimed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 US claimed
US-9949970-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
EP-2089380-B1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER IP GMBH (DE) 2016-06-29 EP disclosed
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 US disclosed
US-9273039-B2 Synthesis of new benzothiazole derivatives as potential anti-tubercular agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-01 US disclosed
US-8524699-B2 Substituted dihydropyrazolones and use thereof as HIF-prolyl-4-hydroxylase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-20120264704-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2012-10-18 US disclosed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 US disclosed
EP-2089380-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-08-19 EP disclosed
WO-2008049538-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-02 WO disclosed
EP-1569641-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINO-BENZOTHIAZOLE DERIVATIVES Teva Pharmaceutical Industries Limited (IL) 2005-09-07 EP disclosed
US-20040176430-A1 Propargyl-trifluoromethoxy-amino-benzothiazole derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-09-09 US disclosed
WO-2004047756-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINO-BENZOTHIAZOLE DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-06-10 WO disclosed
US-5567822-A Process for the preparation of 2-amino-7-nitrobenzo-thiazoles RHONE-POULENC RORER S.A. (FR) 1996-10-22 US disclosed
US-5068238-A Anticonvulsants, schizophrenia, sleep disorders, antiischemia agents and cognition activators RHONE-POULENC SANTE (FR) 1991-11-26 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 (4 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-20120264704-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS HIF1AN, EGLN3, EGLN2 NPC1 3652/4885RAB9A 3502/4885SMN1; SMN2 4495/4885
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA NPC1 1681/4885RAB9A 2476/4885SMN1; SMN2 4865/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA NPC1 2311/4885RAB9A 4194/4885SMN1; SMN2 3952/4885
US-20040176430-A1 Propargyl-trifluoromethoxy-amino-benzothiazole derivatives CLIC1, CCR1, CCR4 NPC1 289/4885RAB9A 4589/4885SMN1; SMN2 302/4885

“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.