SCHEMBL2116067

SCHEMBL2116067

NNc1nc2ccc(Cl)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
KDM4E B2RXH2 3/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 1.00
LMNA P02545 2/20 1.00
MAPT P10636 2/20 1.00
ALOX12 P18054 2/20 1.00
GAA P10253 1/20 1.00
HTT P42858 1/20 1.00
IDO1 P14902 2/20 0.75
PKM P14618 2/20 0.65
MAPK1 P28482 1/20 0.65
GFER P55789 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
DYRK1A Q13627 1/20 0.60
FSCN1 Q16658 1/20 0.60
CASP3 P42574 9/20 0.56

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
SCHEMBL2137684 0.86 IDO1 (1.00) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL12393158 0.82 MEN1 (0.70) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL29974383 0.79 NPC1 (0.66) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL28878451 0.79 NPC1 (0.66) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL22468024 0.79 DYRK1A (0.65) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2117433 0.79 MAPT (1.00) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2115626 0.79 NPC1 (0.65) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL2076551 0.79 RAB9A (0.65) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL7848214 0.78 NPC1 (0.64) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL12368479 0.78 NPC1 (0.64) MEN1KMT2AKDM4ENPC1RAB9A

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 21 patents — showing the first 20. 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
EP-2822945-B1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B V (NL) 2019-06-19 EP disclosed
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2018-09-11 US disclosed
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
US-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2018-02-01 US disclosed
US-9790205-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-10-17 US disclosed
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2017-08-24 US disclosed
US-9676764-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-06-13 US disclosed
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2016-11-10 US disclosed
US-9453012-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2016-09-27 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-20150073019-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY SPECS COMPOUND HANDLING B.V. (NL) 2015-03-12 US disclosed
EP-2822945-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY Compound Handling B.V. (NL) 2015-01-14 EP disclosed
WO-2013131931-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2013-09-12 WO 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
US-4732986-A Benzothiazole derivatives, processes for their preparation and pharmaceutical compositions containing these compounds LUDWIG HEUMANN & CO. GMBH (DE) 1988-03-22 US disclosed
EP-0160173-A1 Benzothiazole derivatives, processes for their production and medicaments containing them LUDWIG HEUMANN & CO GMBH (DE) 1985-11-06 EP disclosed
EP-0043013-B1 PROCESS FOR THE PREPARATION OF 2-CHLORO-BENZOTHIAZOLES HOECHST AKTIENGESELLSCHAFT (DE) 1983-06-01 EP disclosed
EP-0043013-A1 Process for the preparation of 2-chloro-benzothiazoles HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-06 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 (7 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-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 MEN1 3623/4885KMT2A 2650/4885KDM4E 810/4885
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA MEN1 3843/4885KMT2A 3916/4885KDM4E 2848/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA MEN1 3854/4885KMT2A 4072/4885KDM4E 3655/4885
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 MEN1 3623/4885KMT2A 2650/4885KDM4E 810/4885
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 MEN1 3872/4885KMT2A 2695/4885KDM4E 804/4885
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 MEN1 3872/4885KMT2A 2695/4885KDM4E 804/4885
US-20150073019-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 MEN1 3872/4885KMT2A 2695/4885KDM4E 804/4885

“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.