SCHEMBL13545652

SCHEMBL13545652

Cc1onc(-c2ccc(Cl)cc2)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.47
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
GHSR Q92847 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL8931495 0.82 PTGS2 (0.59) MAPTNPSR1PTGS2PTGS1GABRA5
SCHEMBL10262345 0.78 GPBAR1 (0.51) GPBAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL13118075 0.75 ALDH1A1 (0.55) GPBAR1MAPTTDP1L3MBTL1NPSR1
SCHEMBL820838 0.73 PTGS1 (0.59) GPBAR1MAPTALDH1A1PTGS2PTGS1
SCHEMBL5773713 0.72 GABRA5 (0.50) GPBAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL18557580 0.72 GPBAR1 (0.47) GPBAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL2928713 0.71 GABRA5 (0.52) GPBAR1GHSRGABRA5
SCHEMBL4300399 0.71 ATM (0.54) GPBAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL3951419 0.71 GPBAR1 (0.46) GPBAR1MAPTPOLBTDP1L3MBTL1
SCHEMBL27525339 0.71 GPBAR1 (0.49) GPBAR1MAPTPOLBTDP1L3MBTL1

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-8324133-B2 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
US-8324133-B2 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 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 (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-20100010048-A1 Fungicide 2-pyridyl-methylene-carboxamide derivatives CYP51A1, ME2, ME3 GPBAR1 4694/4885MAPT 2039/4885POLB 3219/4885

“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.