SCHEMBL12367463

SCHEMBL12367463

CCCn1c(Cc2ccc(OC(F)(F)F)cc2)cc2cc(N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.40
CNR2 P34972 3/20 0.38
MPO P05164 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TYMS P04818 1/20 0.36
NTRK1 P04629 1/20 0.35
GAA P10253 1/20 0.35
SLC6A4 P31645 1/20 0.35
SCN9A Q15858 1/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
IDH1 O75874 1/20 0.35
CNR1 P21554 1/20 0.34
TRPC5 Q9UL62 1/20 0.34

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
SCHEMBL14404537 0.88 CNR2 (0.46) MBOAT4CNR2MEN1KMT2ASLC6A4
SCHEMBL12367469 0.82 NOS1 (0.43) MBOAT4CNR2ALDH1A1
SCHEMBL12367457 0.82 CNR2 (0.42) CNR2MEN1KMT2ACNR1
SCHEMBL19360604 0.73 IDH1 (0.47) CNR2NTRK1IDH1
SCHEMBL19360605 0.73 IDH1 (0.47) CNR2IDH1
SCHEMBL2266163 0.72 OPRM1 (0.55) CNR2SLC6A4
SCHEMBL2123643 0.70 KDM4E (0.48) CNR2MEN1KMT2AMAPK1ALDH1A1
SCHEMBL30185525 0.69 RORC (0.48)
SCHEMBL23902736 0.69 HTR6 (0.50) ALDH1A1TSHRTYMSABL1BCR
SCHEMBL30365136 0.69 HTR6 (0.50) ALDH1A1TSHRTYMSABL1BCR

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 MBOAT4 996/4885CNR2 80/4885MPO 138/4885

“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.