SCHEMBL25124604

SCHEMBL25124604

CC(C)c1oc2c(=O)c3ccccc3n(C)c2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
PABPC1 P11940 1/20 0.38
LIMK1 P53667 1/20 0.38
HCRTR1 O43613 1/20 0.37

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
SCHEMBL18722227 0.85 POLB (0.41) NTRK1HSD17B10HPGDGAAHTT
SCHEMBL22927444 0.83 ALDH1A1 (0.51) HSD17B10KDM4EHPGDHTTCYP2C19
SCHEMBL20033984 0.81 KDM4E (0.49) NTRK1HSD17B10KDM4EHPGDGAA
SCHEMBL25125035 0.74 POLB (0.41) HSD17B10HPGDGAAHTTCYP2C19
SCHEMBL23308322 0.73 ATM (0.46) NTRK1HSD17B10KDM4EHPGDGAA
SCHEMBL23308374 0.72 KDM4E (0.43) NTRK1HSD17B10KDM4EHPGDGAA
SCHEMBL18610650 0.71 POLB (0.44) HSD17B10KDM4EHPGDGAAHTT
SCHEMBL13412880 0.71 GPR3 (0.58) NTRK1HSD17B10KDM4EHPGDGAA
SCHEMBL19233714 0.70 ALKBH5 (0.46) HSD17B10KDM4EHPGDGAAHTT
SCHEMBL20034024 0.69 KMT2A (0.40) HSD17B10KDM4EHPGDHTTCYP2C19

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-20230115701-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES UNIV ARIZONA STATE (US) 2023-04-13 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-20230115701-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO NTRK1 3009/4885HSD17B10 3924/4885KDM4E 2613/4885

“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.