SCHEMBL802937

SCHEMBL802937

O=C1c2ccccc2C(=O)N1CC(O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 3/20 0.49
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
IDO1 P14902 1/20 0.42
GRM5 P41594 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
SCHEMBL14923670 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL14909378 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL14909379 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL14928384 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL14928331 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL17559361 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL9773949 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1RAB9AMAPT
SCHEMBL20777643 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1PKMMAPK1
SCHEMBL5328150 0.74 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1RAB9AKDM4E
SCHEMBL8939993 0.74 ALDH1A1 (0.64) ALDH1A1KMT2AMAPK1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2012-03-22 US disclosed
US-8071627-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2011-12-06 US disclosed
US-7723363-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2010-05-25 US disclosed
US-7560567-B2 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE S.A. (FR) 2009-07-14 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
US-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-07-19 US disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 US 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 (5 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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS ALDH1A1 1119/4885KMT2A 1855/4885MEN1 3558/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS ALDH1A1 1103/4885KMT2A 937/4885MEN1 1795/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 ALDH1A1 831/4885KMT2A 817/4885MEN1 2328/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 ALDH1A1 772/4885KMT2A 1093/4885MEN1 1814/4885
US-20070167491-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS ALDH1A1 1103/4885KMT2A 937/4885MEN1 1795/4885

“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.