Sugi Predict

Sugi Predict / Compounds / SCHEMBL7590982

SCHEMBL7590982

SCHEMBL7590982

CCOC(=O)C1=C(C)NC(C)=C(C#N)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 11/20 0.80
▸ CACNA1D Q01668 11/20 0.80
▸ CACNA1S Q13698 11/20 0.80
▸ CACNA1C Q13936 11/20 0.80
▸ ADORA3 P0DMS8 1/20 0.80
▸ HIF1A Q16665 3/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ CYP1A2 P05177 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ MAPT P10636 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ POLB P06746 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ GPR55 Q9Y2T6 1/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ NFKB1 P19838 1/20 0.74

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
SCHEMBL15026407 0.92 CACNA1F (0.74) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10747258 0.91 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10750306 0.90 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7467561 0.89 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7465582 0.89 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2574894 0.89 CACNA1F (1.00) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9338302 0.89 CACNA1F (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9338294 0.88 CACNA1F (0.62) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7378579 0.88 CACNA1F (0.80) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7585860 0.87 ADORA3 (0.72) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165240-A1 Method of treating proliferative diseases using Eg5 inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-11-07 — — US disclosed
EP-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 — — EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 — — US disclosed
WO-1990009376-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-23 — — WO disclosed
EP-0383320-A1 A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-22 — — 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-20020165240-A1 Method of treating proliferative diseases using Eg5 inhibitors ARF5, PDS5A, GEMIN5 CACNA1F 4703/4885CACNA1D 4778/4885CACNA1S 4794/4885

“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.