SCHEMBL17536132

SCHEMBL17536132

CCC(C)C1C(=O)NC(=O)NC1=O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
GABRB3 P28472 1/20 0.33
OPRD1 P41143 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.30
SIRT5 Q9NXA8 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
SCHEMBL2376039 0.98 HSD17B10 (0.39) HSD17B10LMNAALDH1A1KDM4CKDM4E
SCHEMBL17294176 0.83 ALDH1A1 (0.43) HSD17B10LMNAALDH1A1KDM4CKDM4E
SCHEMBL8614546 0.81 ALDH1A1 (0.44) HSD17B10LMNAALDH1A1KDM4CKDM4E
SCHEMBL21292107 0.78 ALDH1A1 (0.36) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL21292112 0.77 HSD17B10 (0.37) HSD17B10LMNAALDH1A1KDM4CKDM4E
SCHEMBL17536124 0.77 TSHR (0.39) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL6381411 0.75 LMNA (0.42) HSD17B10LMNAALDH1A1KDM4ECYP3A4
SCHEMBL642543 0.74 TSHR (0.40) HSD17B10LMNAALDH1A1KDM4CKDM4E
SCHEMBL4779166 0.74 HSD17B10 (0.35) HSD17B10LMNAALDH1A1KDM4CKDM4E
SCHEMBL6534645 0.72 KDM4E (0.42) HSD17B10LMNAALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 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-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES TNNT2, TNNI3, TNNC1 HSD17B10 607/4885LMNA 1383/4885ALDH1A1 654/4885

“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.