SCHEMBL783891

SCHEMBL783891

O=C(c1ccccc1)N(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
CES2 O00748 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
DEPTOR Q8TB45 1/20 0.48
MAPK1 P28482 2/20 0.46
TRPA1 O75762 1/20 0.46
GSK3B P49841 1/20 0.46
HIF1A Q16665 1/20 0.46
AKT1 P31749 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL27630702 0.86 ALDH1A1 (0.41) CES1CES2ALDH1A1TSHRL3MBTL1
SCHEMBL29876664 0.84 CES1 (0.50) CES1CES2ALDH1A1TSHRDAO
SCHEMBL9849003 0.84 CES1 (0.50) CES1CES2ALDH1A1TSHRDAO
SCHEMBL19875704 0.82 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL6561305 0.81 CES1 (0.52) CES1CES2ALDH1A1TSHRDAO
SCHEMBL10441168 0.80 TDP1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL3902478 0.80 HSD11B1 (0.52) CES1CES2ALDH1A1TSHRDAO
SCHEMBL28648683 0.80 CES1 (0.46) CES1CES2ALDH1A1TSHRDAO
SCHEMBL10990339 0.80 CA2 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL11145113 0.80 CES1 (0.46) CES1CES2ALDH1A1TSHRDAO

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 154 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694648-B1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER SAS (FR) 2015-07-29 EP claimed
EP-1694649-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-01-22 EP claimed
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US claimed
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2012-03-22 US claimed
US-8071629-B2 2-pyridinylcycloalkylcarboxamide derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2011-12-06 US claimed
US-8071627-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2011-12-06 US claimed
JP-4774043-B2 2011-09-14 JP claimed
US-7932396-B2 2-pyridinylcycloalkylbenzamide derivatives and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-04-26 US claimed
CN-1898210-B 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA 2011-03-30 CN claimed
EP-2289880-A1 2-Pyridinylcyclopropylbenzamide fungicides Bayer CropScience AG (DE) 2011-03-02 EP claimed
WO-2005103006-A1 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-11-03 WO claimed
EP-1591442-A1 2-Pyridinycycloalkylbenzamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-11-02 EP claimed
WO-2005058828-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2005-06-30 WO claimed
WO-2005058833-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-06-30 WO claimed
EP-1548007-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-06-29 EP claimed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US claimed
US-4116953-A 2-PHENYL-3,1-BENZOXAZIN-4-ONES, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 US claimed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 US claimed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US claimed

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-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 CES1 366/4885CES2 103/4885ALDH1A1 831/4885

“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.