SCHEMBL14645849

SCHEMBL14645849

CCCCCOC(=O)c1cc(Br)cc(C)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
ESR1 P03372 3/20 0.49
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL14645740 0.99 ALDH1A1 (0.53) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL15733308 0.93 ALDH1A1 (0.44) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL15733058 0.88 CYP2D6 (0.41) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL11132937 0.86 ALDH1A1 (0.55) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL12326380 0.85 ALDH1A1 (0.47) TSHRCYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL15733163 0.83 TSHR (0.49) TSHRTP53ALDH1A1KDM4EPOLB
SCHEMBL14645956 0.80 ALDH1A1 (0.48) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL14645787 0.80 ALDH1A1 (0.57) TSHRCYP3A4MAPK1ALDH1A1HSD17B10
SCHEMBL8134965 0.80 ALDH1A1 (0.55) TSHRTP53CYP3A4MAPK1ALDH1A1
SCHEMBL14645996 0.79 ALDH1A1 (0.50) TSHRTP53CYP3A4MAPK1ALDH1A1

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 TSHR 4356/4885TP53 4239/4885CYP3A4 438/4885

“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.