SCHEMBL5631599

SCHEMBL5631599

N=C1CCCCN1c1ccc(NC(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.49
EP300 Q09472 3/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
NR4A1 P22736 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
CNR1 P21554 1/20 0.42
LMNA P02545 1/20 0.41
FPR2 P25090 1/20 0.41
KCNQ2 O43526 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL5632127 1.00 F10 (0.49) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5630997 0.97 F10 (0.47) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5631123 0.97 F10 (0.47) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL6372830 0.89 F10 (0.59) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5429259 0.89 F10 (0.59) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5632358 0.87 F10 (0.52) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5630404 0.87 F10 (0.41) F10EP300ALDH1A1MAPTNPC1
SCHEMBL5632366 0.86 ALDH1A1 (0.46) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5631458 0.84 F10 (0.42) F10EP300ALDH1A1MAPTKDM4E
SCHEMBL5631461 0.84 F10 (0.61) F10ALDH1A1MAPTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183277-B2 Alpha-((aryl or heteroaryl)ureido or carbamoyloxy)-N-heteroaryl amides; blood-coagulation factor Xa and VIIa inhibitors; synergistic mixtures with other antitumor agents or anticoagulants MERCK PATENT GMBH (DE) 2007-02-27 US claimed
US-20050171154-A1 Carboxylic acid amides MERCK PATENT GMBH (DE) 2005-08-04 US claimed
US-7183277-B2 Alpha-((aryl or heteroaryl)ureido or carbamoyloxy)-N-heteroaryl amides; blood-coagulation factor Xa and VIIa inhibitors; synergistic mixtures with other antitumor agents or anticoagulants MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-20050171154-A1 Carboxylic acid amides MERCK PATENT GMBH (DE) 2005-08-04 US 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-20050171154-A1 Carboxylic acid amides F11, F12, F2 F10 4/4885EP300 984/4885ALDH1A1 378/4885

“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.