Sugi Predict

Sugi Predict / Compounds / SCHEMBL3436017

SCHEMBL3436017

SCHEMBL3436017

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCl)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ CYP1A2 P05177 2/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ CYP2C9 P11712 2/20 0.78
▸ CYP2C19 P33261 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ MAPT P10636 2/20 0.78
▸ LMNA P02545 1/20 0.78
▸ POLB P06746 1/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ GPR55 Q9Y2T6 1/20 0.78
▸ CYP2D6 P10635 1/20 0.78
▸ TSHR P16473 1/20 0.78
▸ NFKB1 P19838 1/20 0.78
▸ THPO P40225 1/20 0.78
▸ CACNA1F O60840 8/20 0.76
▸ CACNA1D Q01668 8/20 0.76
▸ CACNA1S Q13698 8/20 0.76
▸ CACNA1C Q13936 8/20 0.76

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
SCHEMBL7290444 0.96 CACNA1F (0.79) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10576375 0.96 CACNA1F (0.79) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10410010 0.96 CACNA1F (0.82) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3435101 0.94 HIF1A (0.81) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3433831 0.93 CACNA1F (0.88) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10410015 0.92 CACNA1F (0.76) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10410012 0.92 CACNA1F (0.76) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10684196 0.91 HIF1A (0.79) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10650021 0.91 HIF1A (0.79) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7280911 0.90 MEN1 (0.75) HIF1AMEN1CYP1A2CYP3A4CYP2C9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201558-A4 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES. BRISTOL MYERS CO (US) 1988-04-13 — — EP claimed
EP-0201558-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES Bristol-Myers Squibb Company (US) 1986-11-20 — — EP claimed
WO-1986002640-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES BRISTOL-MYERS COMPANY (US) 1986-05-09 — — WO claimed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 — — US disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 — — US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 — — US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 — — US disclosed
US-4994476-A Hypotensive agents BRISTOL-MYERS COMPANY (US) 1991-02-19 — — US disclosed
US-4895846-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS COMPANY (US) 1990-01-23 — — US disclosed
US-4853393-A HYPOTENSIVE AGENTS, ANTICOAGULANTS CIBA-GEIGY CORPORATION (US) 1989-08-01 — — US disclosed
US-4814455-A CALCIUM BLOCKERS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1989-03-21 — — US disclosed
US-4772621-A Antihypertensive diphenylpropyl aminopropyl ester of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1988-09-20 — — US disclosed
US-4755512-A Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities BRISTOL-MYERS COMPANY (US) 1988-07-05 — — US disclosed
EP-0201558-A4 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES. BRISTOL MYERS CO (US) 1988-04-13 — — EP disclosed
EP-0247345-A2 1,4-Dihydropyridine-3,5-dicarboxylates incorporating an alkyleneaminoalkylene-heteroatom moiety Bristol-Myers Squibb Company (US) 1987-12-02 — — EP disclosed
US-4705797-A HYPOTENSIVE AGENTS, VASODILATORS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-11-10 — — US disclosed
EP-0201558-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES Bristol-Myers Squibb Company (US) 1986-11-20 — — EP disclosed
WO-1986002640-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES BRISTOL-MYERS COMPANY (US) 1986-05-09 — — WO disclosed
US-4564619-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 — — US disclosed
EP-0153016-A2 Asymmetrical diesters of 1,4-dihydro-2,6-dimethyl-pyridine-3,5-dicarboxylic acid RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1985-08-28 — — 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 (1 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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C HIF1A 2995/4885MEN1 434/4885CYP1A2 1635/4885

“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.