SCHEMBL9231822

SCHEMBL9231822

CNc1cc(NC(C)=O)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PYGL P06737 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ TNNI3 P19429 1/20 0.46
▸ TNNT2 P45379 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TNNC1 P63316 1/20 0.46
▸ RUNX1 Q01196 1/20 0.46
▸ CBFB Q13951 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
SCHEMBL13414534 0.89 ALDH1A1 (0.53) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL30368269 0.81 RAB9A (0.58) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL863069 0.81 RAB9A (0.58) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL8919414 0.79 HTT (0.54) HTTKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5518770 0.78 KCNH2 (0.37) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL9231865 0.78 PRKCI (0.58) KMT2AALDH1A1MAPTSMN1; SMN2HDAC1
SCHEMBL405478 0.78 ALDH1A1 (0.57) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL30675577 0.78 PKM (0.59) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL11802375 0.78 PKM (0.59) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL9234372 0.78 SMN1; SMN2 (0.60) HTTKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
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 (2 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 HTT 1131/4885KMT2A 2877/4885MEN1 2093/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HTT 2353/4885KMT2A 850/4885MEN1 138/4885

“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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