SCHEMBL2187112

SCHEMBL2187112

Cc1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HSPB1 P04792 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ S1PR4 O95977 5/20 0.42
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL17786752 0.78 ATM (0.62) HTTALDH1A1HSPB1TDP1ATM
SCHEMBL2187666 0.76 TGFBR1 (0.41) HTTALDH1A1S1PR4MAPTLMNA
SCHEMBL12506843 0.76 TGFBR1 (0.43) S1PR4TGFBR1
SCHEMBL2185810 0.76 EGFR (0.43) S1PR4TGFBR1MEN1KMT2A
SCHEMBL740006 0.76 S1PR4 (0.62) HTTALDH1A1HSPB1TDP1S1PR4
SCHEMBL5857081 0.73 TDP1 (0.51) HTTALDH1A1HSPB1TDP1ATM
SCHEMBL6520 0.72 TDP1 (0.58) HTTALDH1A1TDP1ATMMAPT
SCHEMBL29445159 0.72 TDP1 (0.58) HTTALDH1A1TDP1ATMMAPT
SCHEMBL12663635 0.72 AXL (0.45) HTTMAPTLMNA
SCHEMBL16792668 0.71 TDP1 (0.53) ALDH1A1HSPB1TDP1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 — — US disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 — — US disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 — — US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 — — US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 — — US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 — — US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 — — US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 — — US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 — — US disclosed
CN-101848893-B 1,3-disubstituted 4-(aryl-x-phenyl)-1h-pyridin-2-ones ADDEX PHARMACEUTICALS SA 2012-06-06 — — CN disclosed
EP-2200985-B1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-07-13 — — EP disclosed
EP-2200985-B1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-07-13 — — EP disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 — — US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 — — US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 — — US disclosed
CN-101848893-A 1,3-disubstituted 4-(aryl-x-phenyl)-1h-pyridin-2-ones ADDEX PHARMACEUTICALS SA 2010-09-29 — — CN 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-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 HTT 2125/4885ALDH1A1 1533/4885HSPB1 3823/4885
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 HTT 2125/4885ALDH1A1 1533/4885HSPB1 3823/4885

“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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