SCHEMBL4810405

SCHEMBL4810405

CCCCNC(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
MAPT P10636 9/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL9368595 0.83 MEN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL21815032 0.82 MAPT (0.64) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL8391902 0.82 MAPT (0.78) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL4812667 0.82 MAPT (0.69) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4809804 0.81 MAPT (0.50) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9613726 0.80 RAB9A (0.70) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL9613720 0.80 RAB9A (0.70) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL7162798 0.79 RAB9A (0.64) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL31159573 0.78 MAPT (0.68) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL978808 0.77 RAB9A (0.73) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300276-A1 Heterocyclic Carboxylic Acide Amide Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-04 US disclosed
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
EP-1771437-A1 NEW HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2007-04-11 EP disclosed
WO-2006010969-A1 NEW HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO 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
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 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 (6 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 MEN1 2735/4885KMT2A 525/4885MAPT 3394/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B MEN1 3002/4885KMT2A 548/4885MAPT 3498/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B MEN1 2664/4885KMT2A 514/4885MAPT 3025/4885
US-20080300276-A1 Heterocyclic Carboxylic Acide Amide Derivatives HCAR2, GRIN1, HCAR1 MEN1 1906/4885KMT2A 791/4885MAPT 3812/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B MEN1 2684/4885KMT2A 503/4885MAPT 3477/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C MEN1 4425/4885KMT2A 760/4885MAPT 4133/4885

“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.