SCHEMBL4800575

SCHEMBL4800575

COC(=O)C(=Cc1cccc2nonc12)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MLNR O43193 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ABCB11 O95342 1/20 0.37

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
SCHEMBL10729247 1.00 MAPT (0.41) MAPTNPSR1ALDH1A1HTTKDM4E
SCHEMBL4800564 1.00 MAPT (0.41) MAPTNPSR1ALDH1A1HTTKDM4E
SCHEMBL11125601 0.86 KMT2A (0.42) MAPTNPSR1ALDH1A1HTTKDM4E
SCHEMBL6232523 0.85 KDM4E (0.38) MAPTALDH1A1HTTKDM4ECASP1
SCHEMBL7271751 0.85 KDM4E (0.38) MAPTALDH1A1HTTKDM4ECASP1
SCHEMBL6232530 0.85 KDM4E (0.38) MAPTALDH1A1HTTKDM4ECASP1
SCHEMBL10629783 0.83 ALDH1A1 (0.36) MAPTNPSR1ALDH1A1HTTKDM4E
SCHEMBL11045438 0.80 KMT2A (0.39) MAPTALDH1A1HTTKDM4ECASP1
SCHEMBL11045441 0.80 KMT2A (0.39) MAPTALDH1A1HTTKDM4ECASP1
SCHEMBL10936766 0.74 MAPT (0.40) MAPTALDH1A1KDM4EMEN1KMT2A

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
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 — — US claimed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 — — US claimed
WO-2005005437-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2005-01-20 — — WO claimed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 — — US disclosed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 — — US disclosed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 — — US disclosed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 — — US disclosed
WO-2005005437-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2005-01-20 — — WO disclosed
WO-2005005437-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2005-01-20 — — WO disclosed
EP-0176956-B1 Diaryl derivatives BYK GULDEN LOMBERG CHEM FAB (DE) 1994-06-15 — — EP disclosed
EP-0225574-B1 NOVEL 1,4-DIHYDROPYRIDINES CONTAINING FLUORINE, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1990-05-16 — — EP disclosed
EP-0189045-B1 PYRIDOPYRIMIDINES, DIFFERENT PROCESSES FOR THEIR PREPARATION AS WELL AS THEIR USE AS MEDICAMENTS BAYER AG (DE) 1990-02-14 — — EP disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 — — US disclosed
WO-1988001266-A1 NEW PIPERIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-02-25 — — WO disclosed
US-4707486-A Diaryl piperidine containing esters of 1,4-dihydropyridines and coronary therapeutic use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 — — US disclosed
US-4707482-A ANALGESICS, CARDIOVASCULAR DISORDERS SANDOZ LTD. (CH) 1987-11-17 — — US disclosed
EP-0225574-A1 Novel 1,4-dihydropyridines containing fluorine, process for their preparation and their use as medicaments BAYER AG (DE) 1987-06-16 — — EP disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 — — US disclosed
EP-0189045-A2 Pyridopyrimidines, different processes for their preparation as well as their use as medicaments BAYER AG (DE) 1986-07-30 — — EP disclosed
EP-0176956-A2 Diaryl derivatives Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-09 — — 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-20060167063-A1 Process for the manufacture of isradipine ACMSD, AASDHPPT, DDC MAPT 2600/4885NPSR1 1378/4885ALDH1A1 74/4885

“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.

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