SCHEMBL5865738

SCHEMBL5865738

c1ccc(C(c2ccccc2)c2c[nH]nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 1/20 0.33
TP53 P04637 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
DPP4 P27487 2/20 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
SCHEMBL7921340 0.82 CYP19A1 (0.32) SLC6A2SLC6A4SLC6A3CYP19A1DPP4
SCHEMBL11344228 0.80 CES2 (0.32) SLC6A2SLC6A4SLC6A3L3MBTL1CYP19A1
SCHEMBL11351479 0.80 TSHR (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL1281771 0.80 SMN1; SMN2 (0.40) KMT2AMAPTALDH1A1CYP2C9L3MBTL1
SCHEMBL15437001 0.80 HTR2C (0.42) KMT2ACYP19A1
SCHEMBL5764498 0.80 CES2 (0.32) SLC6A2SLC6A4SLC6A3ALDH1A1CYP2C9
SCHEMBL9525219 0.80 DPP4 (0.38) CYP19A1DPP4F2
SCHEMBL8064628 0.79
Water SCHEMBL1982282 0.79 SMN1; SMN2 (0.39) KMT2AMAPTALDH1A1CYP2C9L3MBTL1
SCHEMBL9634376 0.77 L3MBTL1 (0.35) SLC6A2SLC6A4KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US claimed
US-11926758-B2 Polytriazole coating materials for metal substrates SAUDI ARABIAN OIL COMPANY (SA) 2024-03-12 US disclosed
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-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
US-20040053903-A1 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and an epoxy-steroidal aldosterone antagonist G.D. SEARLE & CO. 2004-03-18 US 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
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 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 (5 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 SLC6A2 1123/4885SLC6A4 2778/4885SLC6A3 2549/4885
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure AGTR2, AGTR1, NR3C2 SLC6A2 1514/4885SLC6A4 3055/4885SLC6A3 1963/4885
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 SLC6A2 3770/4885SLC6A4 4073/4885SLC6A3 3459/4885
US-20040053903-A1 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and an epoxy-steroidal aldosterone antagonist NR3C2, AGTR2, AGTR1 SLC6A2 1753/4885SLC6A4 3269/4885SLC6A3 3626/4885
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 SLC6A2 3478/4885SLC6A4 3863/4885SLC6A3 3002/4885

“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.