SCHEMBL1138039

SCHEMBL1138039

C=Cc1ncc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
PLAU P00749 1/20 0.38
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 4/20 0.33
S1PR4 O95977 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
MAPT P10636 3/20 0.31
PDXK O00764 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6183097 0.78 PDXK (0.36) SMN1; SMN2LMNAGAAHTTKMT2A
SCHEMBL18335168 0.78 PLAU (0.42) LMNAPLAUHTTKMT2AMAPT
SCHEMBL30821436 0.78 PDXK (0.36) HSD17B10PDXK
SCHEMBL17688337 0.78 PLAU (0.42) PLAUPDXK
SCHEMBL30224739 0.78 MAPT (0.32) L3MBTL1HTTHSD17B10MAPTALDH1A1
SCHEMBL29267294 0.78 CYP3A4 (0.36) TSHRALDH1A1
SCHEMBL27223973 0.78 PDXK (0.36) HSD17B10PDXK
SCHEMBL17688294 0.78 IDO1 (0.35) SMN1; SMN2TSHRPLAUMAPK1HSD17B10
SCHEMBL16512928 0.77 SMN1; SMN2 (0.44) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL15049620 0.77 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP2C9TSHRAPEX1

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-8071629-B2 2-pyridinylcycloalkylcarboxamide derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2011-12-06 US disclosed
US-7932396-B2 2-pyridinylcycloalkylbenzamide derivatives and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
EP-1885712-B1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE AG (DE) 2011-02-23 EP disclosed
US-20090099234-A1 2-pyridinylcycloalkylcarboxamide derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2009-04-16 US disclosed
US-20090076096-A1 2-Pyridinylcycloalkylbenzamide derivatives and their use as fungicides BAYER CROPSCIENCE AG (DE) 2009-03-19 US disclosed
EP-1885712-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2008-02-13 EP disclosed
EP-1885698-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2008-02-13 EP disclosed
WO-2006122952-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-11-23 WO disclosed
WO-2006122955-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2006-11-23 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 (2 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-20090076096-A1 2-Pyridinylcycloalkylbenzamide derivatives and their use as fungicides CYP1A2, CYP4B1, CYP4F2 SMN1; SMN2 3198/4885LMNA 2925/4885CYP2C9 16/4885
US-20090099234-A1 2-pyridinylcycloalkylcarboxamide derivatives as fungicides CYP1A2, CYP4F2, CYP4F12 SMN1; SMN2 2634/4885LMNA 2965/4885CYP2C9 15/4885

“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.