SCHEMBL3764290

SCHEMBL3764290

CCCCC#CCCOc1cccc(CN)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MCHR1 Q99705 3/20 0.36
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
PRKCD Q05655 1/20 0.35
PAK1 Q13153 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35
CAMK2D Q13557 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 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
SCHEMBL3764651 0.92 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19MCHR1CSNK1A1
SCHEMBL3772924 0.90 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19MCHR1CSNK1A1
SCHEMBL3770814 0.89 PTGS2 (0.37) CYP1A2CYP2C9CYP2C19MCHR1CSNK1A1
SCHEMBL3764404 0.89 RPS6KA1 (0.34) CYP1A2CYP2C9CYP2C19MCHR1L3MBTL1
SCHEMBL3771871 0.87 L3MBTL1 (0.36) CYP1A2CYP2C9CYP2C19MCHR1CSNK1A1
SCHEMBL3758439 0.86 L3MBTL1 (0.38) CYP1A2CYP2C9CYP2C19MCHR1L3MBTL1
SCHEMBL3761760 0.85 PTGS2 (0.38) CYP1A2CYP2C9CYP2C19MCHR1CSNK1A1
SCHEMBL3771148 0.84 RPS6KA1 (0.35) CYP1A2CYP2C19L3MBTL1MAPTRPS6KA1
SCHEMBL3758658 0.83 RPS6KA1 (0.34) CYP1A2CYP2C9CYP2C19L3MBTL1CYP3A4
SCHEMBL3770664 0.82 L3MBTL1 (0.36) CYP1A2CYP2C9CYP2C19MCHR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 CYP1A2 1291/4885CYP2C9 2705/4885CYP2C19 3392/4885

“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.