SCHEMBL14645787

SCHEMBL14645787

CCCCC(CC)COC(=O)c1cc(Br)cc(C)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
CYP3A4 P08684 4/20 0.57
CA2 P00918 1/20 0.57
TSHR P16473 3/20 0.55
MAPK1 P28482 3/20 0.55
LMNA P02545 3/20 0.53
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 2/20 0.44
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MMP9 P14780 2/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL14645614 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL1444868 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL14645865 0.81 ALDH1A1 (0.71) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL14645849 0.80 TSHR (0.51) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL11855570 0.79 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL226379 0.79 ALDH1A1 (0.77) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL12326380 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL14645740 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL16887364 0.78 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL18069229 0.76 LMNA (0.74) ALDH1A1CYP3A4CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729444-B1 METHOD FOR MANUFACTURING 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-9169198-B2 Method for the production of 2-amino-5-cyano-N,3-dimethylbenzamide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2729444-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE Bayer Intellectual Property GmbH (DE) 2014-05-14 EP disclosed
WO-2013007603-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 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 (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-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE ALKBH5, ALKBH2, MMAB ALDH1A1 1505/4885CYP3A4 438/4885CA2 257/4885

“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.