SCHEMBL2935260

SCHEMBL2935260

CCN1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.54
HTR1A P08908 4/20 0.52
DRD2 P14416 4/20 0.52
HTR2A P28223 2/20 0.51
NOS3 P29474 5/20 0.50
NOS1 P29475 5/20 0.50
NOS2 P35228 4/20 0.50
HTR1F P30939 1/20 0.45

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
Hydrochloric Acid SCHEMBL2936581 1.00 KDM4E (0.54) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL2940253 0.90 NOS3 (0.49) HTR1ADRD2HTR2ANOS3NOS1
Hydrochloric Acid SCHEMBL2926467 0.90 NOS3 (0.49) HTR1ADRD2HTR2ANOS3NOS1
SCHEMBL7490032 0.90 KDM4E (0.54) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL1121961 0.88 NOS3 (0.64) NOS3NOS1NOS2
SCHEMBL7480943 0.83 HTR1A (0.52) HTR1ADRD2HTR2ANOS3NOS1
SCHEMBL7484165 0.82 HTR1A (0.55) KDM4EHTR1ADRD2HTR2ANOS3
SCHEMBL13850013 0.81 NOS3 (0.53) NOS3NOS1NOS2
SCHEMBL12305089 0.81 NOS3 (0.52) LMNANOS3NOS1NOS2
SCHEMBL7485135 0.81 DRD2 (0.51) HTR1ADRD2HTR2ANOS3NOS1

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
CN-101910157-B Indole compounds and methods of treating visceral pain NEURAXON INC 2014-05-07 CN disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
CN-101910157-A Indole compounds and methods of treating visceral pain NEURAXON INC 2010-12-08 CN disclosed
EP-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 EP disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 WO disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 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 (1 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-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN TPH1, NOS1, IDO1 KDM4E 2304/4885LMNA 3941/4885ALOX15 167/4885

“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.