Sugi Predict

Sugi Predict / Compounds / SCHEMBL1638486

SCHEMBL1638486

SCHEMBL1638486

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.37
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ PGGT1B P53609 3/20 0.34
▸ RORC P51449 8/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NR1I2 O75469 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ TBXA2R P21731 2/20 0.31
▸ CCKBR P32239 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ NR1H4 Q96RI1 2/20 0.31
▸ MLNR O43193 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31

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
SCHEMBL3072544 0.92 RORC (0.39) CYP19A1RORCKCNH2CYP3A4
SCHEMBL1637070 0.91 CYP19A1 (0.40) CYP19A1FNTAFNTBPGGT1BRORC
SCHEMBL11891099 0.88 KIF11 (0.38) CYP19A1FNTAFNTBPGGT1BNPSR1
SCHEMBL2205776 0.88 CYP19A1 (0.32) CYP19A1FNTAFNTBPGGT1BRORC
SCHEMBL1482471 0.82 KCNA5 (0.40) FNTAFNTBPGGT1BRORCKMT2A
SCHEMBL11891095 0.82 CYP11B1 (0.40) CYP19A1FNTAFNTBPGGT1BRORC
SCHEMBL1637263 0.80 CYP19A1 (0.39) CYP19A1RORCNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13089077 0.75 CYP19A1 (0.39) CYP19A1RORCNPSR1SMN1; SMN2NR1I2
SCHEMBL11891093 0.74 CYP11B1 (0.38) CYP19A1NPSR1SMN1; SMN2ALDH1A1NR1I2
SCHEMBL28459503 0.72 NUDT1 (0.36) ALDH1A1LMNACYP11B1CYP11B2

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 12 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-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
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
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 CYP19A1 1548/4885FNTA 4071/4885FNTB 1743/4885
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 CYP19A1 1515/4885FNTA 4017/4885FNTB 1663/4885

“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.