SCHEMBL31436728

SCHEMBL31436728

CC(C)(C)c1nc(OC(N)=O)sc1Oc1ccc(N2CCOCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CSF1R P07333 1/20 0.39
DAPK1 P53355 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CA P42336 3/20 0.39
PIK3R1 P27986 2/20 0.39
MTOR P42345 2/20 0.39
AOC3 Q16853 1/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
GAA P10253 1/20 0.37
DGAT1 O75907 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL28940962 0.77 ALDH1A1 (0.55) ALDH1A1AOC3CYP1A2KDM4EHSD17B10
SCHEMBL31159357 0.74 MTOR (0.34) PIK3CAPIK3R1MTORJAK2JAK1
SCHEMBL27766592 0.70 ALDH1A1 (0.55) ALDH1A1AOC3CYP1A2KDM4EHSD17B10
SCHEMBL28528175 0.70 ADK (0.47) ALDH1A1HPGDIKBKETBK1JAK2
SCHEMBL31104821 0.69 PIK3CA (0.49) ALDH1A1PIK3CAPIK3R1MTORCYP1A2
SCHEMBL31104349 0.69 MAPT (0.46) WNT3AALDH1A1AOC3CYP1A2KDM4E
SCHEMBL31104651 0.69 MAPT (0.46) WNT3AALDH1A1AOC3CYP1A2KDM4E
SCHEMBL31104807 0.68 GRM1 (0.38) WNT3AALDH1A1CSF1RDAPK1KCNH2
SCHEMBL2852915 0.67 ALDH1A1 (0.55) ALDH1A1AOC3CYP1A2KDM4EHSD17B10
SCHEMBL31104808 0.67 ALDH1A1 (0.40) WNT3AALDH1A1AOC3CYP1A2KDM4E

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-20250091997-A1 COMPOSITIONS AND METHODS FOR MAKING AND USING SMALL MOLECULES FOR TUBULIN-TARGETED THERAPY IN THE TREATMENT OF CANCERS AND RELATED CONDITIONS REGLAGENE, INC. 2025-03-20 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-20250091997-A1 COMPOSITIONS AND METHODS FOR MAKING AND USING SMALL MOLECULES FOR TUBULIN-TARGETED THERAPY IN THE TREATMENT OF CANCERS AND RELATED CONDITIONS TUBB3, TUBB1, TUBB6 WNT3A 3022/4885ALDH1A1 3722/4885CSF1R 2700/4885

“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.