SCHEMBL4577635

SCHEMBL4577635

CCOC(=O)C(=O)Nc1ccc2nc(S)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.53
MAPT P10636 1/20 0.49
BAZ1A Q9NRL2 1/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGFR P00533 1/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7795897 0.81 MEN1 (0.50) DGAT1MAPTBAZ1AKDM4EEGFR
SCHEMBL4576194 0.80 BAZ1A (0.49) MAPTBAZ1AKDM4ETDP1EGFR
SCHEMBL6608685 0.79 KDM4E (0.61) MAPTBAZ1AKDM4ETDP1ALDH1A1
SCHEMBL14337422 0.77 BAZ1A (0.45) DGAT1MAPTBAZ1AKDM4EEGFR
SCHEMBL14607665 0.77 BAZ1A (0.45) DGAT1MAPTBAZ1AKDM4EEGFR
SCHEMBL19905516 0.77 EPHX1 (0.47) DGAT1MAPTKDM4EEGFRALDH1A1
SCHEMBL8656543 0.76 NPC1 (0.54) KDM4EEGFRALDH1A1HPGDHSD17B10
SCHEMBL7795900 0.76 PKN1 (0.64) MAPTKDM4ETDP1ALDH1A1HPGD
SCHEMBL7485781 0.75 TP53 (0.48) DGAT1MAPTBAZ1AKDM4EALDH1A1
SCHEMBL7794733 0.75 SPHK2 (0.54) KDM4EEGFRALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C DGAT1 4434/4885MAPT 3836/4885BAZ1A 1637/4885

“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.