SCHEMBL3928008

SCHEMBL3928008

N#CCCCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
GLA P06280 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30748276 0.91 L3MBTL1 (0.51) L3MBTL1TDP1KMT2AMAPTALDH1A1
SCHEMBL29144635 0.91 L3MBTL1 (0.51) L3MBTL1TDP1KMT2AMAPTALDH1A1
SCHEMBL784481 0.81 L3MBTL1 (0.54) L3MBTL1TDP1KMT2AALDH1A1GAA
Hydrazine SCHEMBL3964002 0.81 TDP1 (0.50) L3MBTL1TDP1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL6026121 0.80 L3MBTL1 (0.52) L3MBTL1TDP1KMT2AALDH1A1GAA
SCHEMBL3771280 0.80 TDP1 (0.52) L3MBTL1TDP1KMT2AMAPTALDH1A1
SCHEMBL3926762 0.80 TDP1 (0.52) L3MBTL1TDP1KMT2AMAPTALDH1A1
SCHEMBL3926414 0.80 TDP1 (0.52) L3MBTL1TDP1KMT2AMAPTALDH1A1
SCHEMBL4432039 0.80 TDP1 (0.52) L3MBTL1TDP1KMT2AMAPTALDH1A1
SCHEMBL3926418 0.79 TDP1 (0.51) L3MBTL1TDP1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318290-A1 N-(4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-12-24 US disclosed
EP-2041090-A1 N- (4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-01 EP disclosed
WO-2008003745-A1 N- (4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO disclosed
WO-2008003746-A1 N-(4-PYRIDIN-2-YLBUTYL) CARBOXAMIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 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-20090318290-A1 N-(4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP4B1 L3MBTL1 3794/4885TDP1 2278/4885KMT2A 1185/4885

“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.