SCHEMBL14982176

SCHEMBL14982176

Cc1ccc(C(=O)CC(=O)c2ccccc2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ RAB9A P51151 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ ALDH1A1 P00352 6/20 0.50
▸ PLOD2 O00469 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ PLOD3 O60568 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL14982195 0.84 KMT2A (0.52) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL18844093 0.79 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2MAPK1
Dibenzoylmethane SCHEMBL28291887 0.76 MEN1 (0.94) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL27398577 0.75 NOS3 (0.39) MAPTSMN1; SMN2HPGDKDM4ETDP1
SCHEMBL4327538 0.74 HIF1A (0.56) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL14982175 0.74 NPC1 (0.64) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL14982178 0.74 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2MAPK1
Dibenzoylmethane SCHEMBL39582 0.74 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2MAPK1
Dibenzoylmethane SCHEMBL1704711 0.74 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2MAPK1
Dibenzoylmethane SCHEMBL10356288 0.74 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785696-B1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-09-23 — — EP disclosed
US-8822464-B2 N-aryl-piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8822464-B2 N-aryl-piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 — — US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 — — US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 — — US disclosed
WO-2013079460-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 — — WO disclosed
US-20130137688-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 — — US disclosed
US-20130137688-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 — — 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-20130137688-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 MEN1 4795/4885KMT2A 1443/4885MAPT 281/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 MEN1 4793/4885KMT2A 1800/4885MAPT 271/4885

“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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