SCHEMBL4532467

SCHEMBL4532467

O=[N+](OCc1cccc(Cl)n1)OCc1cccc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
AGTR1 P30556 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4532460 0.86 LMNA (0.44) LMNACYP3A4TSHRGRM2GRM3
SCHEMBL20897575 0.75 CYP3A4 (0.38) CYP3A4TSHRGRM2GRM3KCNH2
SCHEMBL4381803 0.75 IDO1 (0.42) CYP3A4TSHRGRM2GRM3KCNH2
SCHEMBL2134778 0.75 ALDH1A1 (0.41) LMNACYP3A4TSHRGRM2GRM3
SCHEMBL28781353 0.74 KCNH2 (0.40) LMNACYP3A4TSHRGRM2GRM3
SCHEMBL9303916 0.71 ALDH1A1 (0.46) GRM2GRM3ALDH1A1GAAMAPT
SCHEMBL29100661 0.71 ALDH1A1 (0.46) LMNACYP3A4TSHRGRM2GRM3
SCHEMBL7052424 0.71
SCHEMBL10595586 0.71 LMNA (0.54) LMNAKCNH2ALDH1A1CYP2C19
SCHEMBL4569966 0.70 KCNH2 (0.75) LMNAKCNH2MAPTMRGPRX4SMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661973-B1 METHOD OF PREVENTING NMDA RECEPTOR COMPLEX-MEDIATED NEURONAL DAMAGE CHILDRENS MEDICAL CENTER (US) 2006-06-21 EP claimed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-20070218121-A1 Compounds that inhibit caspase activity for treating glaucoma NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
EP-0661973-B1 METHOD OF PREVENTING NMDA RECEPTOR COMPLEX-MEDIATED NEURONAL DAMAGE CHILDRENS MEDICAL CENTER (US) 2006-06-21 EP disclosed
EP-0979073-A1 NITROSYLATION TO INACTIVATE APOPTOTIC ENZYMES The Children's Medical Center Corporation (US) 2000-02-16 EP disclosed
EP-0661973-A4 METHOD OF PREVENTING NMDA RECEPTOR COMPLEX-MEDIATED NEURONAL DAMAGE. CHILDRENS MEDICAL CENTER (US) 1999-12-22 EP disclosed
EP-0581856-B1 METHOD OF PREVENTING NMDA RECEPTOR COMPLEX-MEDIATED NEURONAL DAMAGE CHILDRENS MEDICAL CENTER (US) 1999-07-14 EP disclosed
WO-1998043621-A1 NITROSYLATION TO INACTIVATE APOPTOTIC ENZYMES THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1998-10-08 WO disclosed
US-5801203-A Nitroglycerine patch THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1998-09-01 US disclosed
US-5747545-A SCREENING COMPOUNDS BY DETERMINING CHANNEL BLOCKING TIME THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1998-05-05 US disclosed
US-5455279-A Regimen method of mediating neuronal damage using nitroglycerine THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1995-10-03 US disclosed
EP-0661973-A1 METHOD OF PREVENTING NMDA RECEPTOR COMPLEX-MEDIATED NEURONAL DAMAGE The Children's Medical Center Corporation (US) 1995-07-12 EP disclosed
WO-1994006428-A1 METHOD OF PREVENTING NMDA RECEPTOR COMPLEX-MEDIATED NEURONAL DAMAGE THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1994-03-31 WO disclosed
US-5234956-A Method of preventing NMDA receptor complex-mediated neuronal damage THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1993-08-10 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 (2 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 LMNA 3003/4885CYP3A4 2764/4885TSHR 3708/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 LMNA 3003/4885CYP3A4 2764/4885TSHR 3708/4885

“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.