SCHEMBL4226730

SCHEMBL4226730

NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.68
CACNA1H O95180 9/20 0.66
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PSMB5 P28074 1/20 0.48
EPHX1 P07099 2/20 0.47
EPHX2 P34913 1/20 0.45

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
SCHEMBL4365559 0.81 ALDH1A1 (0.94) KDM4EALDH1A1CACNA1HMEN1KMT2A
SCHEMBL4222713 0.79 ALDH1A1 (0.72) KDM4EALDH1A1CACNA1HMEN1KMT2A
SCHEMBL26498849 0.78 CACNA1H (1.00) KDM4EALDH1A1CACNA1HMEN1KMT2A
SCHEMBL4218180 0.78 ALDH1A1 (0.76) KDM4EALDH1A1CACNA1HPSMB5
SCHEMBL4218220 0.78 ALDH1A1 (0.67) KDM4EALDH1A1CACNA1HMEN1KMT2A
SCHEMBL4223025 0.77 ALDH1A1 (0.68) KDM4EALDH1A1CACNA1HPSMB5EPHX1
SCHEMBL26464310 0.75 CACNA1H (0.92) KDM4EALDH1A1CACNA1HKMT2APSMB5
SCHEMBL4216881 0.75 ALDH1A1 (0.70) KDM4EALDH1A1CACNA1HEPHX1EPHX2
SCHEMBL4222774 0.75 KDM4E (0.65) KDM4EALDH1A1CACNA1HEPHX1EPHX2
SCHEMBL4215304 0.74 EPHX2 (0.65) KDM4EALDH1A1CACNA1HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076510-A2 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, IN DIFFERENT CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND FORMULATIONS THEREOF, FOR THE TREATMENT OF THROMBOSIS AND TROMBOSIS RELATED CONDITIONS Portola Pharmaceuticals, Inc. (US) 2009-07-08 EP disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
WO-2008137809-A2 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL] -5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, IN DIFFERENT CRYSTALLINE FORMS, PHARMACEUTICAL COMPOSITIONS THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
EP-1812407-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES Pfizer, Inc. (US) 2007-08-01 EP disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 WO 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-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 KDM4E 2439/4885ALDH1A1 50/4885CACNA1H 2518/4885

“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.