SCHEMBL4887311

SCHEMBL4887311

CC(=O)NCc1nc(CCc2ccc(CC(=O)O)s2)cs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 8/20 0.37
HDAC6 Q9UBN7 8/20 0.37
ALOX15 P16050 1/20 0.37
AOC3 Q16853 1/20 0.36
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL4882505 0.84 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5179460 0.81 AOC3 (0.57) ALDH1A1KMT2AAOC3NPC1RAB9A
SCHEMBL4880248 0.81 AOC3 (0.57) ALDH1A1KMT2AAOC3NPC1RAB9A
SCHEMBL4883468 0.76 ALDH1A1 (0.40) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4883440 0.76 ALDH1A1 (0.40) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4883445 0.76 ALDH1A1 (0.40) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11496091 0.76 MAPT (0.55) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14281007 0.74 KDM4E (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4888161 0.74 RPS6KB2 (0.38) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4882700 0.72 SMN1; SMN2 (0.58) MAPTALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA MAPT 1178/4885ALDH1A1 1877/4885HSD17B10 1895/4885

“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.