SCHEMBL23921563

SCHEMBL23921563

CNC(=O)CNc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.50
▸ ALDH1A1 P00352 9/20 0.50
▸ HPGD P15428 6/20 0.50
▸ GAA P10253 5/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL20866569 0.80 PTPN7 (0.64) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL6489513 0.77 MEN1 (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9613310 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL9613363 0.75 KDM4E (0.60) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL8554767 0.74 KMT2A (0.55) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL31582349 0.74 POLB (0.55) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL9613322 0.73 PTPN7 (0.67) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL19001281 0.73 ALDH1A1 (0.69) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL1174341 0.73 PKM (0.56) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL24276917 0.72 MAPT (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-20210317070-A1 CANNABIDIOL DERIVATIVES AS INHIBITORS OF THE HIF PROLYL HYDROXYLASES ACTIVITY EMERALD HEALTH PHARMACEUTICALS, INC. 2021-10-14 — — 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-20210317070-A1 CANNABIDIOL DERIVATIVES AS INHIBITORS OF THE HIF PROLYL HYDROXYLASES ACTIVITY HIF1AN, HIF1A, EGLN2 KDM4E 1033/4885ALDH1A1 864/4885HPGD 132/4885

“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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