SCHEMBL6251438

SCHEMBL6251438

Cn1c(=N)sc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPT P10636 1/20 0.68
KCNQ3 O43525 16/20 0.53
KCNQ2 O43526 16/20 0.53
F12 P00748 1/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL9780233 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL4813428 0.81 MAPT (1.00) SMN1; SMN2ALDH1A1MAPTF12NPC1
Hydrochloric Acid SCHEMBL9780209 0.80 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL8793858 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9422899 0.79 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9757465 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL1393108 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL9757530 0.78 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
Bromide SCHEMBL9422839 0.78 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2
SCHEMBL8651427 0.78 KCNQ3 (0.43) SMN1; SMN2ALDH1A1MAPTKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4980356-A ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS RHONE-POULENC SANTE (FR) 1990-12-25 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 (1 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-20040176430-A1 Propargyl-trifluoromethoxy-amino-benzothiazole derivatives CLIC1, CCR1, CCR4 SMN1; SMN2 302/4885ALDH1A1 1733/4885MAPT 2025/4885

“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.