SCHEMBL23457744

SCHEMBL23457744

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TNF P01375 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ APAF1 O14727 2/20 0.41
▸ NSD2 O96028 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SENP6 Q9GZR1 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ PDE10A Q9Y233 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40

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
SCHEMBL23457647 0.90 ACHE (0.78) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL21690579 0.87 ACHE (0.79) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL21690571 0.87 ACHE (0.74) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL23457737 0.86 ACHE (0.60) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL23457402 0.83 ACHE (0.76) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL23457478 0.82 ACHE (0.78) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL21690580 0.80 ACHE (0.67) ACHEL3MBTL1TNFRAB9AAPAF1
SCHEMBL23457420 0.79 ACHE (0.77) ACHEL3MBTL1TNFAPAF1NSD2
SCHEMBL23457941 0.75 ACHE (0.70) ACHEL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL35210113 0.74 ACHE (0.67) ACHEL3MBTL1TNFAPAF1NSD2

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 3551/4885TNF 4466/4885

“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.

Send feedback