SCHEMBL9231865

SCHEMBL9231865

CNc1cc(C(C)=O)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.58
▸ AKR1C3 P42330 5/20 0.42
▸ AKR1C2 P52895 5/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SLC6A9 P48067 1/20 0.39

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
SCHEMBL12526629 0.85 HCAR3 (0.51) HDAC1HDAC6HDAC8KMT2ANPC1
SCHEMBL2055287 0.83 HDAC1 (0.54) PRKCIAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL20630760 0.82 PRKCI (0.69) PRKCIAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL9232714 0.80 ERN1 (0.46) PRKCIHDAC1HDAC6HDAC8CES2
SCHEMBL2489186 0.79 SMN1; SMN2 (0.53) PRKCIKMT2AMAOANPC1MAPT
SCHEMBL20630758 0.78 PRKCI (0.59) PRKCIAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL15765691 0.78 PRKCI (0.59) PRKCIAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL1545415 0.78 PRKCI (0.59) PRKCIAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL9231822 0.78 HTT (0.54) HDAC1KMT2ANPC1MAPTRAB9A
SCHEMBL29669896 0.77 CES2 (0.67) CES2CES1KMT2AMAOAMAOB

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
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
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

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 PRKCI 1239/4885AKR1C3 1448/4885AKR1C2 2453/4885

“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.

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