SCHEMBL25038962

SCHEMBL25038962

COC(=O)c1ccc(Cc2c[nH]cn2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ GAA P10253 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ GLA P06280 2/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ CFTR P13569 3/20 0.43
▸ GFER P55789 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MBOAT4 Q96T53 2/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL10581522 0.81 ALDH1A1 (0.75) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL21857189 0.75 KDM4E (0.50) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL2387646 0.75 ALDH1A1 (0.64) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL2386324 0.73 KDM4E (0.62) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL23673927 0.73 GAA (0.62) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL27922018 0.73 ALDH1A1 (0.63) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL21072532 0.73 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL4111771 0.73 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL10401598 0.72 NR4A2 (0.34) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL13162548 0.72 ALDH1A1 (0.60) ALDH1A1GAAKDM4EHSD17B10MAPT

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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ALDH1A1 1943/4885GAA 2375/4885KDM4E 916/4885

“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.

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