SCHEMBL14047479

SCHEMBL14047479

OC[C@@H]1CC[C@H](n2cnc3c(NCc4ccco4)ncnc32)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.65
▸ PAX8 Q06710 2/20 0.65
▸ ADORA3 P0DMS8 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ SLC29A1 Q99808 1/20 0.65
▸ MITF O75030 1/20 0.65
▸ CCNB2 O95067 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNB3 Q8WWL7 1/20 0.54
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ NR2F2 P24468 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ABL1 P00519 3/20 0.49
▸ RIN1 Q13671 3/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL13467655 0.85 NPC1 (0.66) TP53PAX8ADORA3SMN1; SMN2SLC29A1
SCHEMBL19583031 0.83 TP53 (0.71) TP53PAX8ADORA3SMN1; SMN2LMNA
SCHEMBL13467551 0.82 NR2F2 (0.58) TP53ADORA3SMN1; SMN2SLC29A1CCNB2
SCHEMBL13467417 0.82 NR2F2 (0.57) TP53PAX8ADORA3SMN1; SMN2SLC29A1
SCHEMBL2036287 0.81 ALDH1A1 (0.55) ADORA3LMNANR2F2ABL1RIN1
SCHEMBL2390773 0.81 NPC1 (0.68) TP53PAX8ADORA3SMN1; SMN2LMNA
SCHEMBL9589274 0.81 ALDH1A1 (0.54) ADORA3LMNAADORA2AADORA2BADORA1
SCHEMBL9589282 0.81 ALDH1A1 (0.54) ADORA3LMNAADORA2AADORA2BADORA1
SCHEMBL9587631 0.81 ALDH1A1 (0.54) ADORA3LMNAADORA2AADORA2BADORA1
SCHEMBL2391367 0.80 SMN1; SMN2 (0.73) TP53PAX8ADORA3SMN1; SMN2LMNA

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-20080267948-A1 Croos-B Structure Binding Compounds CROSSBETA BIOSCIENCES B.V. (NL) 2008-10-30 — — 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-20080267948-A1 Croos-B Structure Binding Compounds CACYBP, TBCB, MYCBP TP53 2046/4885PAX8 1756/4885ADORA3 1337/4885

“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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