SCHEMBL3926418

SCHEMBL3926418

NCCCCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
PLAU P00749 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.43
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3771280 0.95 TDP1 (0.52) TDP1L3MBTL1KMT2AMAPTALDH1A1
Hydrazine SCHEMBL3964002 0.92 TDP1 (0.50) TDP1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL1122017 0.89 TDP1 (0.55) TDP1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL31255200 0.89 TDP1 (0.55) TDP1L3MBTL1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL6603171 0.87 TDP1 (0.54) TDP1L3MBTL1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL1122045 0.87 TDP1 (0.54) TDP1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL22809523 0.83 TDP1 (0.40) TDP1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL8348153 0.83 AGBL2 (0.39) TDP1L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL3926414 0.83 TDP1 (0.52) TDP1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL4432039 0.83 TDP1 (0.52) TDP1L3MBTL1KMT2AMAPTALDH1A1

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 TDP1 2278/4885L3MBTL1 3794/4885KMT2A 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.