SCHEMBL11891102

SCHEMBL11891102

OC(c1ccccc1)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 5/20 0.40
TDO2 P48775 4/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KCNA5 P22460 7/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
KCNH2 Q12809 4/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL1482980 0.92 SMN1; SMN2 (0.39) SMN1; SMN2IDO1TDO2CYP11B1CYP11B2
SCHEMBL3059460 0.90 SMN1; SMN2 (0.55) SMN1; SMN2KCNA5KCNH2
SCHEMBL11891091 0.82 CYP11B1 (0.39) SMN1; SMN2IDO1TDO2CYP11B1CYP11B2
SCHEMBL13089069 0.82 CYP11B1 (0.39) SMN1; SMN2IDO1TDO2CYP11B1CYP11B2
SCHEMBL2204312 0.79 ADRA2A (0.47) IDO1CYP11B2ALDH1A1
SCHEMBL23704552 0.78 HSP90AA1 (0.40) SMN1; SMN2CYP11B1CYP11B2TDP1KCNH2
SCHEMBL1484285 0.78 GAA (0.36) IDO1TDO2CYP11B1CYP11B2KCNH2
SCHEMBL13089076 0.76 KCNN4 (0.35) SMN1; SMN2IDO1TDO2CYP11B1CYP11B2
SCHEMBL9241069 0.75 ALDH1A1 (0.39) SMN1; SMN2CYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL3026300 0.75 TSHR (0.34) SMN1; SMN2CYP11B1CYP11B2ALDH1A1TDP1

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
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-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
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

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 SMN1; SMN2 2648/4885IDO1 1829/4885TDO2 1795/4885
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 SMN1; SMN2 2742/4885IDO1 1723/4885TDO2 1815/4885

“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.