SCHEMBL9217237

SCHEMBL9217237

O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
GAA P10253 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 10/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
NPSR1 Q6W5P4 4/20 0.60
ALOX12 P18054 3/20 0.60
POLB P06746 1/20 0.60
BRAF P15056 3/20 0.59
KDR P35968 2/20 0.59
KCNQ3 O43525 2/20 0.58
KCNQ2 O43526 2/20 0.58
KCNE1 P15382 2/20 0.58
KCNQ1 P51787 2/20 0.58
CCR6 P51684 2/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
CYP1A2 P05177 1/20 0.54

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
SCHEMBL827719 0.84 MAPT (0.64) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL5837764 0.83 ALDH1A1 (0.69) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL13540540 0.82 MEN1 (0.78) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL3053989 0.81 ALDH1A1 (0.80) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL14096446 0.81 ALDH1A1 (0.69) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL827717 0.80 TDP1 (0.67) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL9900412 0.79 MAPT (0.69) MAPTGAATDP1ALDH1A1MEN1
SCHEMBL27179739 0.78 KMT2A (0.73) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL30926600 0.78 KMT2A (0.73) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL14096334 0.77 ALDH1A1 (0.80) MAPTGAATDP1ALDH1A1MEN1

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 1858/4885GAA 599/4885TDP1 948/4885

“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.