SCHEMBL26553314

SCHEMBL26553314

COc1cc(C)c2[nH]ncc2c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CFB P00751 5/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ AXL P30530 1/20 0.34
▸ LCK P06239 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 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
SCHEMBL25647677 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDBRD4AXL
SCHEMBL26551521 0.76 KDM4E (0.38) KDM4EALDH1A1HPGDCFBBRD4
SCHEMBL20956425 0.75 ALDH1A1 (0.40) KDM4EALDH1A1HPGDBRD4AXL
SCHEMBL20956445 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDCFBBRD4
SCHEMBL17030771 0.72 BRD4 (0.44) KDM4EALDH1A1HPGDBRD4AXL
SCHEMBL26550994 0.71 NQO2 (0.48) KDM4EALDH1A1HPGDCFBGAA
SCHEMBL22328038 0.70 NOS1 (0.33) HTTPTK2METAP2
SCHEMBL22328049 0.70 METAP2 (0.33) HTTPTK2CYP1A2METAP2
SCHEMBL13624084 0.69 KDM4E (0.43) KDM4EALDH1A1HPGDBRD4AXL
SCHEMBL18891404 0.68 ACHE (0.54) ALDH1A1HPGDCFBLMNA

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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 — — 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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 KDM4E 3798/4885ALDH1A1 3003/4885HPGD 153/4885

“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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