SCHEMBL12367457

SCHEMBL12367457

CCCn1c(Cc2ccc(OC(F)(F)F)cc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
OPRM1 P35372 2/20 0.42
CNR1 P21554 2/20 0.39
SERPINE1 P05121 2/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CCR2 P41597 1/20 0.37
ACHE P22303 1/20 0.36
PSD A5PKW4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL2266163 0.89 OPRM1 (0.55) CNR2OPRM1MAPT
SCHEMBL2263047 0.84 OPRM1 (0.58) CNR2OPRM1ACHE
SCHEMBL12367463 0.82 MBOAT4 (0.40) CNR2CNR1MEN1KMT2A
SCHEMBL6302597 0.74 CCR2 (0.67) SERPINE1CCR2
SCHEMBL2125182 0.73 KMT2A (0.53) CNR2CNR1MEN1MAPTKMT2A
SCHEMBL2265021 0.72 SERPINE1 (0.55) SERPINE1MEN1TP53MAPTCASP3
SCHEMBL19360604 0.72 IDH1 (0.47) CNR2
SCHEMBL14404537 0.71 CNR2 (0.46) CNR2OPRM1MEN1TP53MAPT
SCHEMBL19360605 0.71 IDH1 (0.47) CNR2
SCHEMBL27447038 0.70 CYP1A2 (0.46) CNR2CNR1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989447-B2 1,5 and 3,6-substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2011-08-02 US disclosed
US-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2007-11-01 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 (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-20070254940-A1 1,5 And 3,6- substituted indole compounds having NOS inhibitory activity NOS1, NOS3, NOS2 CNR2 80/4885OPRM1 157/4885CNR1 78/4885

“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.