SCHEMBL7077333

SCHEMBL7077333

N#Cc1cc(C#N)cc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LTA4H P09960 1/20 0.46
P2RY1 P47900 1/20 0.46
RECQL P46063 1/20 0.45
AR P10275 2/20 0.43
KIF11 P52732 1/20 0.43
TEAD1 P28347 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
EPAS1 Q99814 1/20 0.40
MAOB P27338 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL7072035 1.00 POLB (0.50) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL7071618 0.94 POLB (0.44) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL921315 0.92 POLB (0.51) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL7076982 0.84 AR (0.46) L3MBTL1NPSR1ARMAPTEPAS1
SCHEMBL7070749 0.84 SMN1; SMN2 (0.50) ARALDH1A1MAPTEPAS1
SCHEMBL7073833 0.84 CYP3A4 (0.46) POLBL3MBTL1CYP2C9CYP2C19NPSR1
SCHEMBL16399273 0.84 TAS2R14 (0.45) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL8773215 0.83 CYP1A2 (0.50) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL875280 0.83 POLB (0.47) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL9798371 0.82 LTA4H (0.54) POLBL3MBTL1CYP1A2CYP2C9CYP2C19

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-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 POLB 2176/4885L3MBTL1 2135/4885CYP1A2 17/4885

“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.