SCHEMBL1122014

SCHEMBL1122014

NC(=O)N(S)c1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RAD51 Q06609 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP2A6 P11509 2/20 0.41
AHR P35869 3/20 0.41
NR4A2 P43354 2/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
MAOA P21397 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
AR P10275 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL28922588 0.79 LCK (0.35) MAPT
SCHEMBL6083112 0.78 AR (0.51) SLC6A2SLC6A3ARMAPTCA12
SCHEMBL6166853 0.77 SLC6A2 (0.48) F2USP2GAAALOX15RAD51
SCHEMBL28166707 0.75 SLC6A2 (0.46) F2USP2GAAALOX15RAD51
SCHEMBL5823141 0.75 ROCK2 (0.47) GAACTNNB1WNT3AARNPC1
SCHEMBL3632143 0.75 USP2 (0.48) F2USP2GAAALOX15RAD51
SCHEMBL28548106 0.73 CYP2A6 (0.51) F2USP2GAAALOX15RAD51
SCHEMBL9967028 0.73 USP2 (0.55) F2USP2GAAALOX15RAD51
SCHEMBL651823 0.73 ESR1 (0.42) F2ALOX15NPSR1MAPT
SCHEMBL9717426 0.72 SLC6A2 (0.46) USP2GAAALOX15RAD51NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-7951940-B2 neuronal nitric oxide synthase (nNOS) isoform inhibitors; 2-ethyl-1-(1H-indol-5-yl)-isothiourea; neurogenerative disorders, stroke, reperfusion injury, head trauma, migraine headache, neuropathic pain, drug abuse, hyperalgesia NEURAXON, INC. (CA) 2011-05-31 US disclosed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP disclosed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 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 (4 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 F2 2955/4885USP2 2526/4885GAA 2900/4885
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 F2 2955/4885USP2 2526/4885GAA 2900/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 F2 2955/4885USP2 2526/4885GAA 2900/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 F2 2955/4885USP2 2526/4885GAA 2900/4885

“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.