SCHEMBL2789150

SCHEMBL2789150

O=C(O)Cc1cncn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.61
CYP11B2 P19099 12/20 0.61
IDO1 P14902 1/20 0.53
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
HPGDS O60760 1/20 0.46
AKR1B1 P15121 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
P2RX7 Q99572 1/20 0.44

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
Hydrochloric Acid SCHEMBL8763109 0.98 CYP11B1 (0.60) CYP11B1CYP11B2IDO1GAAPKM
SCHEMBL9267101 0.88 CYP11B1 (0.58) CYP11B1CYP11B2IDO1GAAPKM
SCHEMBL8865733 0.86 CYP11B1 (0.62) CYP11B1CYP11B2
SCHEMBL9092547 0.84 CYP11B1 (0.73) CYP11B1CYP11B2IDO1GAA
SCHEMBL2789863 0.84 CYP11B1 (0.76) CYP11B1CYP11B2IDO1HPGDSFNTA
Hydrochloric Acid SCHEMBL7847609 0.83 PTGDR2 (0.46) CYP11B1CYP11B2AKR1B1
SCHEMBL2786255 0.83 CYP11B1 (0.71) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL9092962 0.82 CYP11B1 (0.72) CYP11B1CYP11B2IDO1
SCHEMBL7804285 0.82 FNTA (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8481395 0.82 CYP11B1 (0.69) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 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-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 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
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-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO 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
WO-1991016313-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1991-10-31 WO disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 EP disclosed
EP-0432737-A1 Cycloheptimidazolone compounds as angiotensin II antagonists for control of hypertension G.D. Searle & Co. (US) 1991-06-19 EP disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 EP 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 (3 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 CYP11B1 256/4885CYP11B2 266/4885IDO1 3573/4885
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 CYP11B1 1187/4885CYP11B2 1238/4885IDO1 153/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CYP11B1 256/4885CYP11B2 266/4885IDO1 3573/4885

“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.