SCHEMBL23457647

SCHEMBL23457647

COc1cc2ccnc(C(O)c3cc(OC)c(OC)c(OC)c3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.78
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAOA P21397 2/20 0.44
▸ TNF P01375 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ NSD2 O96028 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42

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
SCHEMBL23457744 0.90 ACHE (0.70) ACHEL3MBTL1MAOATNFSMN1; SMN2
SCHEMBL21690571 0.86 ACHE (0.74) ACHEL3MBTL1TNFSMN1; SMN2TSHR
SCHEMBL23457402 0.85 ACHE (0.76) ACHEL3MBTL1TNFSMN1; SMN2TSHR
SCHEMBL23457478 0.84 ACHE (0.78) ACHEL3MBTL1TNFSMN1; SMN2TSHR
SCHEMBL21690580 0.82 ACHE (0.67) ACHEL3MBTL1TNFSMN1; SMN2TSHR
SCHEMBL21690579 0.82 ACHE (0.79) ACHEL3MBTL1TNFSMN1; SMN2TSHR
SCHEMBL23457420 0.81 ACHE (0.77) ACHEL3MBTL1TNFAPAF1NSD2
SCHEMBL23457737 0.79 ACHE (0.60) ACHEL3MBTL1TNFSMN1; SMN2TSHR
SCHEMBL11722622 0.78 ACHE (0.48) ACHEL3MBTL1SMN1; SMN2TSHRRAB9A
SCHEMBL23457941 0.77 ACHE (0.70) ACHEL3MBTL1SMN1; SMN2TSHRMEN1

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-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 — — 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-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS HIF1AN, HIF1A, HYOU1 ACHE 2115/4885L3MBTL1 3551/4885MAOA 1091/4885

“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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