SCHEMBL16029316

SCHEMBL16029316

CCCOCc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 4/20 0.48
NPSR1 Q6W5P4 5/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL16079580 0.90 HTT (0.61) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029914 0.89 ALDH1A1 (0.60) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16028631 0.88 SMN1; SMN2 (0.52) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029366 0.88 HTT (0.61) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029123 0.88 ALDH1A1 (0.62) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029663 0.87 ALDH1A1 (0.59) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029557 0.85 SMN1; SMN2 (0.49) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029923 0.85 HSD17B10 (0.50) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16030023 0.85 MAPK1 (0.47) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16029238 0.85 HSD17B10 (0.49) HTTALOX15HSD17B10ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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 (2 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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 HTT 1025/4885ALOX15 1456/4885HSD17B10 1271/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 HTT 1025/4885ALOX15 1456/4885HSD17B10 1271/4885

“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.