SCHEMBL4810145

SCHEMBL4810145

COC(=O)c1cc2cc([N+](=O)[O-])c(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.58
SRD5A1 P18405 1/20 0.58
XDH P47989 3/20 0.50
CTSV O60911 4/20 0.47
CTSL P07711 4/20 0.47
ABCB1 P08183 1/20 0.46
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.44
PDGFRB P09619 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
SCHEMBL7159304 0.83 SRD5A2 (0.82) SRD5A2SRD5A1XDHCTSVCTSL
SCHEMBL5829229 0.83 SRD5A2 (0.82) SRD5A2SRD5A1XDHCTSVCTSL
SCHEMBL5017116 0.82 SRD5A2 (0.63) SRD5A2SRD5A1XDHCTSVCTSL
SCHEMBL187450 0.81 SRD5A2 (0.64) SRD5A2SRD5A1XDHFLT3KDM4E
SCHEMBL2722311 0.77 CTSV (0.54) CTSVCTSLABCB1ALDH1A1MEN1
SCHEMBL8406972 0.76 FLT3 (0.70) SRD5A2SRD5A1XDHCTSVCTSL
SCHEMBL751415 0.76 KMT2A (0.62) CTSVCTSLABCB1ALDH1A1HPGD
SCHEMBL6599162 0.76 KDM4E (0.77) SRD5A2SRD5A1XDHFLT3KDM4E
SCHEMBL527105 0.76 MYC (0.59) CTSVCTSLABCB1ALDH1A1HPGD
SCHEMBL30082879 0.76 MYC (0.59) CTSVCTSLABCB1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378431-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-27 US disclosed
US-7375116-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-20 US disclosed
US-7365083-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-04-29 US disclosed
US-7361670-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-04-22 US disclosed
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-07-21 US disclosed
US-6919355-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2005-07-19 US disclosed
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113361-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. 2003-10-23 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 (5 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-20050113361-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B SRD5A2 2039/4885SRD5A1 1415/4885XDH 1180/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B SRD5A2 1673/4885SRD5A1 1280/4885XDH 1107/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B SRD5A2 2563/4885SRD5A1 1945/4885XDH 1443/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B SRD5A2 2040/4885SRD5A1 1427/4885XDH 1361/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C SRD5A2 729/4885SRD5A1 432/4885XDH 1177/4885

“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.