SCHEMBL4579095

SCHEMBL4579095

CCOC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.66
MEN1 O00255 8/20 0.66
HSP90AA1 P07900 2/20 0.66
HPGD P15428 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
NPC1 O15118 1/20 0.66
PKM P14618 1/20 0.66
CCR6 P51684 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 5/20 0.60
HTT P42858 3/20 0.60
POLB P06746 2/20 0.60
DDX3X O00571 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
SETD7 Q8WTS6 1/20 0.55
BLM P54132 1/20 0.55
MAPK1 P28482 2/20 0.54
CACNA1B Q00975 1/20 0.54

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
SCHEMBL10573661 0.86 MEN1 (0.69) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL11574390 0.86 KMT2A (0.63) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL11402843 0.84 MAPT (0.63) HPGDNPC1ALDH1A1MAPTPOLB
SCHEMBL1126505 0.83 KMT2A (0.67) KMT2AMEN1HPGDPKMALDH1A1
SCHEMBL27972065 0.83 MEN1 (0.60) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL10978787 0.82 ALDH1A1 (0.65) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL11816127 0.81 MEN1 (0.62) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL4742571 0.81 DHODH (0.64) KMT2AMEN1HSP90AA1HPGDNPSR1
SCHEMBL11453702 0.80 MAPT (0.58) KMT2AMEN1HPGDNPSR1NPC1
Hydrochloric Acid SCHEMBL11810360 0.80 MEN1 (0.61) KMT2AMEN1HSP90AA1HPGDNPSR1

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 6 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
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
US-4128660-A Anti-allergic aminooxanilic acids and esters THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4011337-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1977-03-08 US 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 KMT2A 1234/4885MEN1 2584/4885HSP90AA1 3733/4885

“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.