SCHEMBL16401433

SCHEMBL16401433

CC1CNC(CC(N)=O)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 1/20 0.30

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
SCHEMBL10759422 0.80 GAA (0.42) HSD17B10ALDH1A1GAA
SCHEMBL186487 0.78 ITGB3 (0.38) HSD17B10ALDH1A1POLBBLM
SCHEMBL16399382 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4392538 0.73 GHSR (0.32) ALDH1A1
SCHEMBL2625304 0.73 ALDH1A1 (0.42) HSD17B10ALDH1A1POLBBLMGAA
SCHEMBL4392545 0.73 GHSR (0.32) ALDH1A1
SCHEMBL4392539 0.73 GHSR (0.32) ALDH1A1
SCHEMBL4392636 0.71
SCHEMBL4392635 0.71
Trifluoroacetic Acid SCHEMBL16399083 0.71 AGTR1 (0.31)

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
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 HSD17B10 1729/4885ALDH1A1 724/4885POLB 2395/4885

“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.