SCHEMBL4578043

SCHEMBL4578043

CC(C)(C)OC(=O)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.49
LCK P06239 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
CSNK1D P48730 1/20 0.47
CSNK1G2 P78368 1/20 0.47
BCHE P06276 1/20 0.45
RIPK1 Q13546 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4577352 0.91 CSNK1D (0.57) IRAK4LCKSMN1; SMN2NPC1RAB9A
SCHEMBL31154057 0.88 MEN1 (0.54) IRAK4SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5037713 0.84 LCK (0.56) LCKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL19739335 0.83 MMP2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18537879 0.83 LMNA (0.57) IRAK4SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29500516 0.83 LMNA (0.57) IRAK4SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29613754 0.81 MAPT (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4576964 0.81 LCK (0.53) LCKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31370470 0.81 LCK (0.53) LCKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3034403 0.80 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 IRAK4 3146/4885LCK 2183/4885SMN1; SMN2 2793/4885

“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.