SCHEMBL3430128

SCHEMBL3430128

N#CC(C(=O)O)c1ncc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 13/20 0.40
S1PR1 P21453 11/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
PLAU P00749 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL16540985 0.84 PLAU (0.36) S1PR3S1PR1L3MBTL1LMNAALDH1A1
SCHEMBL2131576 0.82 MAPK1 (0.46) S1PR3S1PR1L3MBTL1LMNAALDH1A1
SCHEMBL4452273 0.81 ALDH1A1 (0.56) L3MBTL1LMNAALDH1A1PKMSMN1; SMN2
SCHEMBL22729790 0.72 S1PR3 (0.44) S1PR3S1PR1S1PR2S1PR4
SCHEMBL895506 0.71 L3MBTL1 (0.42) S1PR3S1PR1L3MBTL1LMNAMAPK1
SCHEMBL29355151 0.68 KMT2A (0.46) S1PR3S1PR1L3MBTL1LMNACYP2C9
SCHEMBL22530887 0.68 KMT2A (0.46) S1PR3S1PR1L3MBTL1LMNACYP2C9
SCHEMBL15018895 0.68 AKR1C4 (0.33) TSHRSMN1; SMN2
SCHEMBL11522882 0.67 LMNA (0.45) S1PR3S1PR1L3MBTL1LMNAALDH1A1
SCHEMBL940332 0.66 MAPK1 (0.40) S1PR3S1PR1L3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651604-B1 N-´2-(2-PYRIDINYL)ETHYL BENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-11-12 EP disclosed
US-7723364-B2 N-[2-(2-pyridinyl) ethyl]benzamide compounds and their use as fungicides BAYER CROPSCIENCE SA (FR) 2010-05-25 US disclosed
US-20060246102-A1 N-'2-(2-pyridinyl) ethylbenzamide compounds and their use as fungicides BAYER SAS (FR) 2006-11-02 US disclosed
EP-1651604-A2 N-¬2-(2-PYRIDINYL)ETHYL|BENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-05-03 EP disclosed
WO-2005014545-A2 N-′2-(2-PYRIDINYL) ETHYLBENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2005-02-17 WO disclosed
EP-1500651-A1 N-[2-(2-Pyridinyl)ethyl]benzamide compounds and their use as fungicides Bayer CropScience S.A. (FR) 2005-01-26 EP 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-20060246102-A1 N-'2-(2-pyridinyl) ethylbenzamide compounds and their use as fungicides CYP1A2, CYP4B1, CYP1B1 S1PR3 2847/4885S1PR1 2662/4885L3MBTL1 4183/4885

“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.