SCHEMBL14982178

SCHEMBL14982178

Cc1cnc(C(=O)CC(=O)c2ccccc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ HPGD P15428 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ CES1 P23141 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ RAB9A P51151 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ ALDH1A1 P00352 5/20 0.50
▸ PLOD2 O00469 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ PLOD3 O60568 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 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
SCHEMBL14982194 0.88 RAB9A (0.49) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL14982175 0.81 NPC1 (0.64) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL14982170 0.76 KMT2A (0.67) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL15001725 0.76 PLOD2 (0.43) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL14982176 0.74 MEN1 (0.55) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL14982186 0.74 MEN1 (0.55) MEN1KMT2AHPGDMAPTSMN1; SMN2
Dibenzoylmethane SCHEMBL10356288 0.74 MEN1 (1.00) MEN1KMT2AHPGDMAPTSMN1; SMN2
Dibenzoylmethane SCHEMBL39582 0.74 MEN1 (1.00) MEN1KMT2AHPGDMAPTSMN1; SMN2
Dibenzoylmethane SCHEMBL1704711 0.74 MEN1 (1.00) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL21240971 0.73 NOS3 (0.40) MEN1KMT2AMAPTCYP3A4KDM4E

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
WO-2013079460-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 — — WO 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
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 1443/4885HPGD 2850/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 MEN1 4793/4885KMT2A 1800/4885HPGD 2796/4885

“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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