SCHEMBL3660618

SCHEMBL3660618

CN(C)/C=C/C=C(/C#N)C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3660619 1.00 CYP2C9 (0.33) CYP2C9TDP1RAB9AALDH1A1APP
SCHEMBL963660 0.78 CYP2C9 (0.49) CYP2C9RAB9AALDH1A1KDM4EKMT2A
SCHEMBL963659 0.78 CYP2C9 (0.49) CYP2C9RAB9AALDH1A1KDM4EKMT2A
SCHEMBL13590567 0.78 CYP2C9 (0.49) CYP2C9RAB9AALDH1A1KDM4EKMT2A
SCHEMBL14629838 0.78 CYP2C9 (0.37) CYP2C9RAB9AALDH1A1APPKDM4E
SCHEMBL14629840 0.78 CYP2C9 (0.37) CYP2C9RAB9AALDH1A1APPKDM4E
SCHEMBL14396678 0.78 CYP2C9 (0.37) CYP2C9RAB9AALDH1A1APPKDM4E
SCHEMBL9473889 0.77 CYP2C9 (0.36) CYP2C9TDP1RAB9AALDH1A1APP
SCHEMBL28572087 0.77 MCL1 (0.47) CYP2C9TDP1RAB9AALDH1A1APP
SCHEMBL9473882 0.77 CYP2C9 (0.36) CYP2C9TDP1RAB9AALDH1A1APP

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-20100292482-A1 NOVEL PRECURSORS BIAL -Portela & CA.., S.A. 2010-11-18 US disclosed
EP-2217571-A2 NOVEL PRECURSORS BIAL - Portela & Ca., S.A. (PT) 2010-08-18 EP disclosed
WO-2009054742-A2 NOVEL PRECURSORS BIAL - PORTELA & CA., S.A. (PT) 2009-04-30 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-20100292482-A1 NOVEL PRECURSORS CBR3, CBR1, C1R CYP2C9 322/4885TDP1 4463/4885RAB9A 1608/4885

“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.