SCHEMBL15095256

SCHEMBL15095256

NC(=O)c1cnncc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NNMT P40261 4/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL29804459 0.82 SIRT3 (0.55) SIRT3TDP1ALDH1A1MAPTTSHR
SCHEMBL28301259 0.77 TSHR (0.36) SIRT3TDP1ALDH1A1MAPTTSHR
Methane SCHEMBL27687947 0.75 ASPH (0.41) SIRT3TDP1MAP4K4CDK5KMT2A
SCHEMBL27146303 0.71 SIRT3 (0.41) SIRT3TDP1KDM4ENNMTKMT2A
SCHEMBL70537 0.71 HCAR2 (0.46) TDP1ALDH1A1MAPTTSHRKDM4E
SCHEMBL1330970 0.71 TDP1 (0.67) SIRT3TDP1ALDH1A1MAPTTSHR
SCHEMBL1687197 0.71 TDP1 (0.67) SIRT3TDP1ALDH1A1MAPTTSHR
SCHEMBL1222250 0.69 ALDH1A1 (0.46) SIRT3TDP1ALDH1A1MAPTTSHR
SCHEMBL9002495 0.69 SIRT6 (0.47) SIRT3TDP1TSHRKDM4ENNMT
SCHEMBL23291825 0.67 SIRT3 (0.47) SIRT3TDP1TSHRNNMTMAP4K4

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
US-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI SIRT3 1738/4885TDP1 1423/4885ALDH1A1 3972/4885

“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.