SCHEMBL4577352

SCHEMBL4577352

CC(C)(C)OC(=O)Nc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.57
CSNK1G2 P78368 2/20 0.57
LCK P06239 1/20 0.57
RIPK1 Q13546 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CDK9 P50750 2/20 0.54
CCNT1 O60563 1/20 0.54
IRAK4 Q9NWZ3 8/20 0.53
DYRK3 O43781 1/20 0.51
ABL1 P00519 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
MET P08581 1/20 0.51
PDGFRB P09619 1/20 0.51
PHKG2 P15735 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL4578043 0.91 IRAK4 (0.49) CSNK1DCSNK1G2LCKRIPK1SMN1; SMN2
SCHEMBL31388529 0.88 RIPK1 (0.60) CSNK1DCSNK1G2RIPK1SMN1; SMN2ALDH1A1
SCHEMBL31388527 0.88 RIPK1 (0.60) CSNK1DCSNK1G2RIPK1SMN1; SMN2ALDH1A1
SCHEMBL31388528 0.88 RIPK1 (0.60) CSNK1DCSNK1G2RIPK1SMN1; SMN2ALDH1A1
SCHEMBL19329479 0.83 RIPK1 (0.63) CSNK1DCSNK1G2RIPK1SMN1; SMN2ALDH1A1
SCHEMBL28240295 0.81 RIPK1 (0.66) CSNK1DCSNK1G2RIPK1SMN1; SMN2ALDH1A1
SCHEMBL15584613 0.81 KCNJ1 (0.57) CSNK1DCSNK1G2RIPK1SMN1; SMN2ALDH1A1
SCHEMBL4577384 0.81 LCK (0.61) LCKSMN1; SMN2ALDH1A1ABL1KDR
SCHEMBL13217181 0.80 ALDH1A1 (0.59) CSNK1DCSNK1G2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL31721205 0.80 LCK (0.69) LCKSMN1; SMN2ALDH1A1ABL1KDR

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 CSNK1D 233/4885CSNK1G2 719/4885LCK 2183/4885

“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.