SCHEMBL4393716

SCHEMBL4393716

CN1CCc2c(-c3ccc(S(=O)(=O)N(C)C)cc3)cc3c(c2C1)NC(=O)C3=NO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
JAK2 O60674 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
SCHEMBL4401527 1.00 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8133241 1.00 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8126480 0.90 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8126477 0.90 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8134971 0.90 ALDH1A1 (0.43) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8134966 0.90 ALDH1A1 (0.43) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8125744 0.89 KMT2A (0.39) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8125747 0.89 KMT2A (0.39) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8134328 0.89 ALDH1A1 (0.36) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8134340 0.89 ALDH1A1 (0.36) HTR6GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079529-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2006-04-13 US claimed
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders NEUROSEARCH A/S 2004-07-22 US claimed
US-6727260-B2 USING COMPOUNDS CAPABLE OF INHIBITING THE ACTIVITY OF A PROTON-GATED CATION CHANNEL IN THERAPY OR ALEVIATION OF DISEASES OR DISORDERS ASSOCIATED WITH, OR MEDIATED BY A DROP IN EXTRACELLULAR PH NEUROSEARCH A/S (DK) 2004-04-27 US claimed
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders AROS PHARMA APS (DK) 2002-05-16 US claimed
EP-1183025-A2 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS NEUROSEARCH A/S (DK) 2002-03-06 EP claimed
WO-2000071102-A2 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS NEUROSEARCH A/S (DK) 2000-11-30 WO claimed
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP claimed
US-7632948-B2 Method of preparing enantiomers of indole-2,3-dione-3-oxime derivatives NEUROSEARCH A/S (DK) 2009-12-15 US disclosed
US-7632948-B2 Method of preparing enantiomers of indole-2,3-dione-3-oxime derivatives NEUROSEARCH A/S (DK) 2009-12-15 US disclosed
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2008-10-30 US disclosed
US-7288653-B2 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2007-10-30 US disclosed
US-20060178391-A1 Method of preparing enantiomers of indole-2,3-dione-3-oxime derivatives NEUROSEARCH A/S (DK) 2006-08-10 US disclosed
US-20060079529-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2006-04-13 US disclosed
WO-2004018466-A2 A METHOD OF PREPARING ENANTIOMERS OF INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 2004-03-04 WO disclosed
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders AROS PHARMA APS (DK) 2002-05-16 US disclosed
EP-1183025-A2 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS NEUROSEARCH A/S (DK) 2002-03-06 EP disclosed
WO-2000071102-A2 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS NEUROSEARCH A/S (DK) 2000-11-30 WO disclosed
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 US disclosed
WO-1996008495-A1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 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 (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-20060079529-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 HTR6 434/4885GRIA1 393/4885GRIA2 266/4885
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 HTR6 434/4885GRIA1 393/4885GRIA2 266/4885
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders ASIC1, ASIC3, TRPM4 HTR6 487/4885GRIA1 279/4885GRIA2 210/4885
US-20060178391-A1 Method of preparing enantiomers of indole-2,3-dione-3-oxime derivatives IDO2, IDO1, TPH2 HTR6 62/4885GRIA1 1444/4885GRIA2 329/4885
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 HTR6 434/4885GRIA1 393/4885GRIA2 266/4885

“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.