SCHEMBL5454793

SCHEMBL5454793

N#Cc1ccc(NNC(=O)CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
NLRP3 Q96P20 1/20 0.44
PKM P14618 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
IL18 Q14116 1/20 0.42
IDO1 P14902 1/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 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
SCHEMBL7283832 0.83 GAA (0.62) SAE1UBA2MAPTLMNAHTT
SCHEMBL841012 0.82 SAE1 (0.57) SAE1UBA2MAPTLMNAHTT
SCHEMBL28377566 0.80 MAPT (0.50) SAE1UBA2MAPTLMNAHTT
SCHEMBL14375731 0.78 SAE1 (0.42) SAE1UBA2MAPTLMNAHTT
SCHEMBL21055737 0.77 ALOX5 (0.63) LMNATSHRKDM4EGAASMN1; SMN2
SCHEMBL31123427 0.77 SAE1 (0.47) SAE1UBA2MAPTLMNAHTT
SCHEMBL5455720 0.77 GAA (0.61) MAPTLMNAKDM4ECA2CA1
SCHEMBL5444741 0.77 GAA (0.68) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL5451366 0.77 PTGS2 (0.56) LMNAHTTTSHRPOLBCA2
SCHEMBL1337208 0.77 TSHR (0.57) SAE1UBA2MAPTLMNAHTT

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-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 SAE1 4796/4885UBA2 4848/4885MAPT 4597/4885

“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.