SCHEMBL4576194

SCHEMBL4576194

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.49
GPR35 Q9HC97 1/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 4/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 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
SCHEMBL6608685 0.84 KDM4E (0.61) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL4577635 0.80 DGAT1 (0.53) BAZ1AKDM4EALDH1A1TP53HPGD
SCHEMBL7795897 0.80 MEN1 (0.50) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL13656911 0.79 ALDH1A1 (0.44) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL9147991 0.79 BRD4 (0.52) KDM4EALDH1A1TP53MAPTHSD17B10
SCHEMBL13922193 0.78 FABP4 (0.49) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7485781 0.77 TP53 (0.48) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL14607665 0.77 BAZ1A (0.45) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL14337422 0.77 BAZ1A (0.45) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL14160765 0.75 EGFR (0.43) BAZ1AKDM4EALDH1A1SMN1; SMN2TP53

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 BAZ1A 1637/4885GPR35 549/4885KDM4E 1161/4885

“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.