SCHEMBL2803708

SCHEMBL2803708

C/C(=C\c1cc2ccccc2o1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
FBP1 P09467 2/20 0.51
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
ABL2 P42684 1/20 0.46
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.43
NT5E P21589 1/20 0.43
MAOB P27338 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
PSMD14 O00487 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL2803709 1.00 CYP2A6 (0.53) CYP2A6FBP1ABL1EGFRABL2
SCHEMBL2803711 1.00 CYP2A6 (0.53) CYP2A6FBP1ABL1EGFRABL2
SCHEMBL3952660 0.79 CYP2A6 (0.50) CYP2A6KDM4EMAOBMAPTRAB9A
SCHEMBL13904618 0.79 CYP2A6 (0.50) CYP2A6KDM4EMAOBMAPTRAB9A
SCHEMBL6024488 0.79 CYP2A6 (0.46) CYP2A6KDM4EMAOBMAPTRAB9A
SCHEMBL6024491 0.79 CYP2A6 (0.46) CYP2A6KDM4EMAOBMAPTRAB9A
SCHEMBL15095310 0.78 CYP2A6 (0.60) CYP2A6CYP1A2KDM4ECA12NT5E
SCHEMBL12320812 0.76 CYP2A6 (0.44) CYP2A6CYP1A2KDM4ECA12NT5E
SCHEMBL13125644 0.75 CYP2A6 (0.56) CYP2A6CYP1A2KDM4ECA12NT5E
SCHEMBL8548935 0.74 CYP2A6 (0.56) CYP2A6FBP1CYP1A2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 CYP2A6 1109/4885FBP1 3717/4885ABL1 150/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CYP2A6 552/4885FBP1 3895/4885ABL1 107/4885

“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.