SCHEMBL1482948

SCHEMBL1482948

Cc1cccc(C(=O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
MEN1 O00255 3/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 2/20 0.35
AKR1B10 O60218 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35
MPO P05164 1/20 0.35
CHRM1 P11229 1/20 0.35
AKR1B1 P15121 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1639284 0.87 MEN1 (0.36) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL27804377 0.82 CYP11B1 (0.40) KMT2ACYP3A4CYP2C9MEN1LMNA
SCHEMBL2203211 0.81 CDC25B (0.49) KMT2ACYP3A4CYP2C9MEN1LMNA
SCHEMBL1639289 0.80 CYP46A1 (0.36) KMT2ACYP3A4CYP2C9MEN1LMNA
SCHEMBL8365795 0.79 ALDH1A1 (0.35) CYP3A4CYP2C9LMNATDP1CYP1A2
SCHEMBL11891101 0.78 KMT2A (0.41) KMT2AMEN1LMNATDP1AKR1C3
SCHEMBL3070579 0.78 KAT6A (0.37) KMT2ACYP3A4CYP2C9MEN1LMNA
SCHEMBL3029621 0.77 ALDH1A1 (0.44) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL11891094 0.77 ALDH1A1 (0.41) KMT2ACYP3A4CYP2C9LMNATDP1
SCHEMBL7683395 0.76 ALDH1A1 (0.46) KMT2ACYP3A4CYP2C9MEN1LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735438-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-8735438-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2014-05-27 US disclosed
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-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-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-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-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
EP-2079706-B1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS GRINDEKS JSC (LV) 2011-07-20 EP disclosed
EP-2240453-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-10-20 EP disclosed
US-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. GRINDEKS A JOINT STOCK COMPANY (LV) 2010-02-25 US 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
EP-2079706-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS Grindeks, a joint stock company (LV) 2009-07-22 EP disclosed
WO-2009089132-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2009-07-16 WO disclosed
WO-2009089132-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2009-07-16 WO disclosed
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2009-07-09 US disclosed
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2009-07-09 US disclosed
WO-2008055852-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO disclosed
EP-1918282-A1 Method for preparing medetomidine and its salts "Joint Stock Company Grindeks" (LV) 2008-05-07 EP 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 (3 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-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. ADRB2, ADRB3, OPRM1 KMT2A 151/4885CYP3A4 12/4885CYP2C9 54/4885
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 KMT2A 1256/4885CYP3A4 303/4885CYP2C9 326/4885
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB3, ADRB2 KMT2A 2593/4885CYP3A4 356/4885CYP2C9 455/4885

“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.