SCHEMBL1639284

SCHEMBL1639284

Cc1c(C(=O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDCD1 Q15116 8/20 0.35
CD274 Q9NZQ7 8/20 0.35
HNF4A P41235 1/20 0.34
TACR1 P25103 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCAT2 O15382 1/20 0.33
EPHX1 P07099 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1482948 0.87 KMT2A (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1639289 0.84 CYP46A1 (0.36) MEN1KMT2ASMN1; SMN2HDAC3HDAC6
SCHEMBL2203211 0.78 CDC25B (0.49) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL8365795 0.76 ALDH1A1 (0.35) SMN1; SMN2HDAC3HDAC6ALDH1A1TDP1
SCHEMBL11891101 0.76 KMT2A (0.41) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL3070579 0.75 KAT6A (0.37) MEN1KMT2ASMN1; SMN2TACR1L3MBTL1
SCHEMBL7683395 0.74 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2HDAC3HDAC6
SCHEMBL13089068 0.71 TDP1 (0.41) MEN1KMT2ASMN1; SMN2HDAC3HDAC6
SCHEMBL3072100 0.70 GAA (0.45) KMT2ASMN1; SMN2HDAC6ALDH1A1TDP1
SCHEMBL8370305 0.69 TDP1 (0.36) MEN1KMT2ASMN1; SMN2HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250153-B1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2013-06-19 EP disclosed
US-20120202865-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS SINHA SANTOSH C (US) 2012-08-09 US disclosed
US-8227499-B2 Substituted-aryl-(imidazole)-methyl)-phenyl compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2012-07-24 US disclosed
US-20110098330-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2011-04-28 US disclosed
EP-2250153-A1 SUBSTITUED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-11-17 EP disclosed
WO-2009091735-A1 SUBSTITUED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN.INC (US) 2009-07-23 WO 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-20110098330-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB2, ADRB3 MEN1 2884/4885KMT2A 1318/4885SMN1; SMN2 2648/4885
US-20120202865-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB2, ADRB3 MEN1 2711/4885KMT2A 1256/4885SMN1; SMN2 2742/4885

“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.