SCHEMBL861663

SCHEMBL861663

Nc1ccc(C(=O)NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX12 P18054 2/20 0.50
CCR6 P51684 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13956786 0.78 EPHX1 (0.62) MAPTALDH1A1ALOX12CCR6GAA
SCHEMBL6814399 0.76 MAPT (0.55) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL22025463 0.74 NPC1 (0.63) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL13956778 0.74 MEN1 (0.67) MAPTALDH1A1ALOX12MEN1KMT2A
SCHEMBL4364669 0.73 NPC1 (0.56) MAPTALDH1A1ALOX12CCR6GAA
SCHEMBL4365512 0.73 NPC1 (0.56) MAPTALDH1A1ALOX12CCR6GAA
SCHEMBL4334835 0.73 KMT2A (0.53) MAPTALDH1A1GAAKMT2ANPC1
SCHEMBL6814411 0.73 MAPT (0.60) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL9900412 0.73 MAPT (0.69) MAPTALDH1A1ALOX12CCR6GAA
SCHEMBL4375215 0.73 NPC1 (0.53) MAPTALDH1A1ALOX12CCR6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 MAPT 1731/4885ALDH1A1 1480/4885ALOX12 4003/4885

“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.