SCHEMBL12469024

SCHEMBL12469024

C#CCN1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.65
SCN9A Q15858 3/20 0.65
RAB9A P51151 11/20 0.48
NPC1 O15118 11/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
NFKB1 P19838 2/20 0.48
LMNA P02545 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
SLC6A2 P23975 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL15086778 0.85 MAPT (0.60) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
SCHEMBL16445277 0.82 SCN4A (0.79) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
SCHEMBL15086781 0.80 MAPT (0.57) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL8516006 0.79 SCN4A (1.00) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
SCHEMBL2056209 0.78 RAB9A (0.57) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
SCHEMBL15086770 0.76 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL2090465 0.76 SCN4A (0.56) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
SCHEMBL6259117 0.70 NPC1 (0.54) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
SCHEMBL6250112 0.70 DYRK1A (0.61) SCN4ASCN9ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL6834656 0.69 DYRK1A (0.60) SCN4ASCN9ARAB9ANPC1SMN1; SMN2

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-8759382-B2 Propargyl-trifluoromethoxy-aminobenzothiazole derivatives, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-06-24 US disclosed
US-8759382-B2 Propargyl-trifluoromethoxy-aminobenzothiazole derivatives, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-06-24 US disclosed
EP-2621490-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE Teva Pharmaceutical Industries Ltd. (IL) 2013-08-07 EP disclosed
US-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2013-07-04 US disclosed
US-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2013-07-04 US disclosed
WO-2012050971-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-04-19 WO 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-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE PARK7, SNCA, PMP22 SCN4A 1420/4885SCN9A 2465/4885RAB9A 1589/4885

“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.