SCHEMBL5865713

SCHEMBL5865713

c1ccc(C(c2ccccc2)n2cccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.57
TSHR P16473 1/20 0.46
CYP26A1 O43174 2/20 0.41
CYP17A1 P05093 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL3996750 0.81 CYP19A1 (0.46) CYP19A1TSHRHTR2ASLC6A2SLC6A4
SCHEMBL730575 0.79 TSHR (0.43) CYP19A1TSHRCYP17A1MEN1MAPT
SCHEMBL22369257 0.79 CYP2D6 (0.45) CYP19A1TSHRCYP26A1CYP17A1MEN1
SCHEMBL28827501 0.79 TSHR (0.43) CYP19A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL15174490 0.79 CYP2D6 (0.45) CYP19A1TSHRCYP26A1CYP17A1MEN1
SCHEMBL23343730 0.79 TSHR (0.43) CYP19A1TSHRCYP17A1MEN1MAPT
SCHEMBL5894567 0.79 TSHR (0.51) CYP19A1TSHRMAPK1SLC6A2SLC6A4
SCHEMBL21547790 0.76 TSHR (0.49) CYP19A1TSHRMAPK1CYP3A4KCNH2
SCHEMBL730151 0.75 TSHR (0.44) CYP19A1TSHRCYP17A1HTR2AKCNH2
SCHEMBL5674598 0.75 TAAR1 (0.47) CYP19A1TSHRHTR2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132437-B2 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE (US) 2006-11-07 US disclosed
US-6984633-B2 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and epoxymexrenone G.D SEARLE & CO. (US) 2006-01-10 US disclosed
US-6960609-B2 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER, INC. (US) 2005-11-01 US disclosed
US-6960609-B2 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER, INC. (US) 2005-11-01 US disclosed
US-6960609-B2 1-diphenylmethyl-pyrazole derivatives as opioid receptor ligands PFIZER, INC. (US) 2005-11-01 US disclosed
US-6858636-B2 1-phenyl imidazol-2-one biphenylmethyl compounds for treatment of circulatory disorders G.D. SEARLE & CO. (US) 2005-02-22 US disclosed
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO., 2004-11-04 US disclosed
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO. 2004-06-24 US disclosed
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20040067915-A1 Method to treat cardiofibrosis with a combination of an angiotensin II antagonist and spironolactone G.D. SEARLE & CO. (US) 2004-04-08 US disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 WO disclosed
WO-1992002257-A2 RENAL-SELECTIVE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-20 WO disclosed
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 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 (4 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-20040067915-A1 Method to treat cardiofibrosis with a combination of an angiotensin II antagonist and spironolactone AGTR2, AGTR1, NR3C2 CYP19A1 638/4885TSHR 205/4885CYP26A1 117/4885
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure AGTR2, AGTR1, NR3C2 CYP19A1 1754/4885TSHR 207/4885CYP26A1 113/4885
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 CYP19A1 2608/4885TSHR 1498/4885CYP26A1 284/4885
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 CYP19A1 3037/4885TSHR 1491/4885CYP26A1 332/4885

“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.