SCHEMBL5712535

SCHEMBL5712535

COc1ccc(CCNCl)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ MAPT P10636 1/20 0.63
▸ KMT2A Q03164 1/20 0.61
▸ CA2 P00918 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA1 P00915 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ CA5A P35218 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CYP19A1 P11511 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL14144999 0.86 POLB (0.53) ATMPOLBMAPTKMT2ACA2
SCHEMBL7435099 0.85 ATM (0.76) ATMPOLBMAPTKMT2ACA2
SCHEMBL14144990 0.84 POLB (0.51) ATMPOLBMAPTKMT2ACA2
SCHEMBL13116257 0.84 CYP1A2 (0.63) ATMPOLBMAPTKMT2ALMNA
SCHEMBL15684920 0.83 GAA (0.54) ATMPOLBMAPTKMT2ACA2
SCHEMBL17833768 0.83 KDM4E (0.66) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11808765 0.83 ATM (0.73) ATMPOLBMAPTKMT2ACA2
SCHEMBL30230461 0.83 ATM (1.00) ATMPOLBMAPTKMT2ACA2
SCHEMBL8635081 0.83 ATM (1.00) ATMPOLBMAPTKMT2ACA2
SCHEMBL557799 0.83 ATM (1.00) ATMPOLBMAPTKMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725517-A2 PROCESS FOR THE PREPARATION OF FENOLDOPAM MESYLATE Sicor Inc. (US) 2006-11-29 — — EP disclosed
US-20060194967-A1 Process for the preparation of Fenoldopam Mesylate SICOR, INC. 2006-08-31 — — US disclosed
WO-2006079090-A2 PROCESS FOR THE PREPARATION OF FENOLDOPAM MESYLATE SICOR INC. (US) 2006-07-27 — — WO disclosed
EP-0127423-B1 1-(4'-BRANCHED ALKYLSULFONYLPHENYL)-6-CHLORO-7,8-DIHYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-03 — — EP disclosed
US-4514394-A Anti-hypertensive use of 1-(4'-branched alkylsulfonylphenyl)-6-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1985-04-30 — — US disclosed
EP-0127423-A2 1-(4'-Branched alkylsulfonylphenyl)-6-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1984-12-05 — — 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-20060194967-A1 Process for the preparation of Fenoldopam Mesylate TPMT, COMT, CYP4F3 ATM 3555/4885POLB 414/4885MAPT 3144/4885

“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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