SCHEMBL2581074

SCHEMBL2581074

N=C1SCCN1c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
INMT O95050 3/20 0.38
CHRNA1 P02708 1/20 0.36
CHRNA7 P36544 1/20 0.36
HSD17B3 P37058 1/20 0.33
NOTUM Q6P988 2/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2A13 Q16696 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL25002578 0.89 TSHR (0.36) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL9482499 0.82 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL25001900 0.80 ADRB1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL25002137 0.71 INMT (0.32) INMT
SCHEMBL25001910 0.70 GPR55 (0.40) INMTMAPTALDH1A1
SCHEMBL25002906 0.67 MEN1 (0.45) CYP3A4INMTNPC1ALDH1A1
SCHEMBL4576513 0.67 ADRB1 (0.36) CYP2C9CYP2C19NOTUMSMN1; SMN2MAPT
Timirdine SCHEMBL10799352 0.66 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19INMT
SCHEMBL25003074 0.66 MEN1 (0.47) CYP1A2CYP2C9CYP2C19INMTNOTUM
SCHEMBL25001894 0.66 GAA (0.38) CYP1A2INMTNOTUMHTTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699489-B1 PHARMACEUTICAL COMPOSITION OF A SODIUM CHANNEL BLOCKER AND A SELECTIVE SEROTONIN UPTAKE INHIBITOR KOCSIS PAL (HU) 2013-02-13 EP disclosed
US-8048882-B2 Pharmaceutical compositions with increased activity RICHTER GODEON NYRT. (HU) 2011-11-01 US disclosed
EP-1610785-B1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF SPASTICITY AND/OR PAIN RICHTER GEDEON VEGYESZET (HU) 2007-08-22 EP disclosed
US-20070129370-A1 Novel pharmaceutical compositions with increased activity RICHTER GODEON NYRT. (HU) 2007-06-07 US disclosed
US-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2007-02-01 US disclosed
EP-1699489-A2 PHARMACEUTICAL COMPOSITION OF A SODIUM CHANNEL BLOCKER AND A SELECTIVE SEROTONIN UPTAKE INHIBITOR RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2006-09-13 EP disclosed
US-20060199841-A1 Pharmaceutical combination for the treatment of spasticity and/or pain RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2006-09-07 US disclosed
EP-1610785-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF SPASTICITY AND/OR PAIN RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2006-01-04 EP disclosed
WO-2005058363-A2 PHARMACEUTICAL COMPOSITION OF A SODIUM CHANNEL BLOCKER AND A SELECTIVE SEROTONIN UPTAKE INHIBITOR Richter Gedeon Vegyészeti Gyár Rt. (HU) 2005-06-30 WO disclosed
US-6858605-B2 Substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2005-02-22 US disclosed
WO-2004089352-A2 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF SPASTICITY AND/OR PAIN Richter Gedeon Vegyészeti Gyár Rt. (HU) 2004-10-21 WO disclosed
US-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. 2004-08-05 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 (3 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-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 CYP1A2 55/4885CYP3A4 132/4885CYP2C9 252/4885
US-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 CYP1A2 55/4885CYP3A4 132/4885CYP2C9 252/4885
US-20060199841-A1 Pharmaceutical combination for the treatment of spasticity and/or pain OPRM1, OPRL1, OPRD1 CYP1A2 517/4885CYP3A4 1250/4885CYP2C9 779/4885

“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.