SCHEMBL7501728

SCHEMBL7501728

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
HTT P42858 1/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 2/20 0.47
SIRT5 Q9NXA8 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FPR2 P25090 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MEF2D Q14814 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7501741 1.00 NAMPT (0.54) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7501736 1.00 NAMPT (0.54) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7494330 0.90 NAMPT (0.53) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7494334 0.90 NAMPT (0.53) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7505021 0.87 HDAC4 (0.50) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7505025 0.87 HDAC4 (0.50) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7498428 0.86 KLK7 (0.51) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL7494218 0.86 KLK7 (0.51) NAMPTHTTHDAC4HDAC1HDAC8
SCHEMBL829136 0.84 CTSK (0.58) NAMPTHDAC4HDAC1HDAC8SIRT5
SCHEMBL26436573 0.83 FPR2 (0.51) NAMPTHDAC4HDAC1HDAC8HDAC3

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
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 NAMPT 2401/4885HTT 2480/4885HDAC4 4237/4885

“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.