SCHEMBL29338018

SCHEMBL29338018

CC(C)C(C)(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD11B1 P28845 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
CA9 Q16790 2/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1538287 0.79 HSD17B10 (0.56) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL397351 0.79 HSD17B10 (0.56) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL6671840 0.79 HSD17B10 (0.56) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL677959 0.79 HSD17B10 (0.56) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL28551166 0.77 HSD17B10 (0.54) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL2079616 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHSD11B1CA1CA2
SCHEMBL28455171 0.76 HSD17B10 (0.48) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL19286703 0.76 ALDH1A1 (0.54) HSD17B10ACHEALDH1A1KDM4EHSD11B1
SCHEMBL27855209 0.75 HSD17B10 (0.64) HSD17B10ACHEALDH1A1CA1CA2
SCHEMBL2320664 0.75 CA1 (0.56) HSD17B10ACHEALDH1A1KDM4EHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK HSD17B10 2876/4885ACHE 4815/4885ALDH1A1 2208/4885

“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.