SCHEMBL2116732

SCHEMBL2116732

NNc1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
ALOX12 P18054 2/20 0.64
KMT2A Q03164 2/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
GFER P55789 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
EPHX2 P34913 1/20 0.64
SCN4A P35499 1/20 0.64
DYRK1A Q13627 2/20 0.63
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CSNK1D P48730 10/20 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
SCHEMBL2136351 0.87 DYRK1A (0.63) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL7028444 0.84 NPC1 (0.59) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL8430853 0.84 DYRK1A (0.68) EPHX2SCN4ADYRK1ACSNK1DACP1
SCHEMBL5683714 0.84 DYRK1A (0.68) EPHX2SCN4ADYRK1ACSNK1DACP1
SCHEMBL29974674 0.81 DYRK1A (0.64) EPHX2SCN4ADYRK1ACSNK1DACP1
SCHEMBL28878445 0.81 DYRK1A (0.64) EPHX2SCN4ADYRK1ACSNK1DACP1
SCHEMBL212708 0.80 DYRK1A (0.63) EPHX2SCN4ADYRK1ACSNK1DACP1
SCHEMBL25867794 0.80 DYRK1A (0.63) EPHX2SCN4ADYRK1ACSNK1DACP1
SCHEMBL30116088 0.79 NPC1 (0.68) MEN1MAPTKMT2AEPHX2SCN4A
SCHEMBL3791611 0.79 DYRK1A (0.78) DYRK1ACSNK1DACP1CYP2D6CSNK2A2

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 6 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
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-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 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 (2 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-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA KDM4E 2848/4885MEN1 3843/4885ALDH1A1 782/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA KDM4E 3655/4885MEN1 3854/4885ALDH1A1 1613/4885

“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.