SCHEMBL4244332

SCHEMBL4244332

FC(F)(F)c1cccc(CNC2CCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.63
PRMT6 Q96LA8 2/20 0.63
ALDH1A1 P00352 3/20 0.56
TEAD1 P28347 3/20 0.56
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
CXCR4 P61073 1/20 0.49
EPHX1 P07099 3/20 0.48
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL23200173 0.97 CARM1 (0.63) CARM1PRMT6ALDH1A1TEAD1POLB
SCHEMBL2470940 0.94 CARM1 (0.66) CARM1PRMT6ALDH1A1TEAD1POLB
SCHEMBL29456933 0.94 CARM1 (0.66) CARM1PRMT6ALDH1A1TEAD1POLB
Hydrochloric Acid SCHEMBL30117154 0.92 CARM1 (0.64) CARM1PRMT6ALDH1A1TEAD1POLB
SCHEMBL6066142 0.88 CARM1 (0.55) CARM1PRMT6ALDH1A1TEAD1MEN1
SCHEMBL375127 0.87 CARM1 (0.59) CARM1PRMT6ALDH1A1TEAD1POLB
SCHEMBL6858410 0.87 CARM1 (0.62) CARM1PRMT6ALDH1A1TEAD1POLB
SCHEMBL375071 0.87 CARM1 (0.59) CARM1PRMT6ALDH1A1TEAD1POLB
SCHEMBL3816081 0.87 CARM1 (0.59) CARM1PRMT6TEAD1MEN1KMT2A
Formic Acid SCHEMBL5076807 0.85 TEAD1 (0.61) CARM1PRMT6TEAD1POLBMEN1

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-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAYZME PHARMACEUTICALS LTD. (CA) 2009-05-28 US disclosed
EP-1871357-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE Inflazyme Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
WO-2006108149-A2 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE INFLAZYME PHARMACEUTICALS LTD. (CA) 2006-10-12 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-20090137653-A1 SUBSTITUTED BENZYLAMINES AS CYP2A INHIBITORS AND USES THEREOF TO TREAT NICOTINE DEPENDENCE CYP2A6, CYP2B6, CYP2D6 CARM1 1473/4885PRMT6 525/4885ALDH1A1 77/4885

“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.