Sugi Predict

Sugi Predict / Compounds / SCHEMBL1637070

SCHEMBL1637070

SCHEMBL1637070

Cc1ccccc1C(O)(c1ccccc1)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.40
▸ FNTA P49354 3/20 0.36
▸ FNTB P49356 3/20 0.36
▸ PGGT1B P53609 3/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL1638486 0.91 CYP19A1 (0.37) CYP19A1FNTAFNTBPGGT1BKMT2A
SCHEMBL11891099 0.89 KIF11 (0.38) CYP19A1FNTAFNTBPGGT1BKMT2A
SCHEMBL11891095 0.85 CYP11B1 (0.40) CYP19A1FNTAFNTBPGGT1BKMT2A
SCHEMBL3072544 0.83 RORC (0.39) CYP19A1CYP3A4KCNH2RORCCYP3A5
SCHEMBL2205776 0.81 CYP19A1 (0.32) CYP19A1FNTAFNTBPGGT1BKMT2A
SCHEMBL1637263 0.81 CYP19A1 (0.39) CYP19A1KMT2AMEN1LMNAMAPT
SCHEMBL11891093 0.77 CYP11B1 (0.38) CYP19A1KMT2AMEN1LMNAMAPT
SCHEMBL1482471 0.76 KCNA5 (0.40) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL13089077 0.75 CYP19A1 (0.39) CYP19A1KMT2AMEN1LMNAMAPT
SCHEMBL11475054 0.74 KMT2A (0.50) CYP19A1CRHBPCRHR2KMT2AMEN1

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.