SCHEMBL9220168

SCHEMBL9220168

CC(=O)c1ccc(F)c(N=C=S)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 1/20 0.40
KIF11 P52732 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PKM P14618 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2344531 0.81 ALDH1A1 (0.46) MAPTRAB9AHPGDNPC1CYP2A6
SCHEMBL31540622 0.74 ALDH1A1 (0.46) MAPTHPGDPKMALDH1A1
SCHEMBL15221620 0.73 ALDH1A1 (0.33) MAOAMAPTRAB9AHPGDNPC1
SCHEMBL942142 0.72 CES2 (0.38) RAB9AHPGDCES2CES1NPC1
SCHEMBL30940601 0.72 CA3 (0.38) MAOAMAPTRAB9AHPGDCES2
SCHEMBL1457805 0.72 CA3 (0.38) MAOAMAPTRAB9AHPGDCES2
SCHEMBL29669896 0.72 CES2 (0.67) MAOBMAOAKIF11MAPTRAB9A
SCHEMBL75801 0.72 CES2 (0.67) MAOBMAOAKIF11MAPTRAB9A
SCHEMBL11413817 0.71 P2RY6 (0.42) MAOAMAPTHPGDCA1CA2
SCHEMBL1021879 0.71 HTR2B (0.34) MAOAHPGDALDH1A1

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 MAOB 1362/4885MAOA 1052/4885KIF11 4740/4885

“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.