SCHEMBL4864534

SCHEMBL4864534

O=C(/C=N/O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.57
▸ MAPT P10636 15/20 0.55
▸ GSK3B P49841 1/20 0.54
▸ RAB9A P51151 8/20 0.54
▸ NPC1 O15118 7/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ RECQL P46063 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ HPGD P15428 2/20 0.50

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
SCHEMBL4864539 1.00 MAOB (0.57) MAOBMAPTGSK3BRAB9ANPC1
SCHEMBL7135274 0.81 MAOB (0.61) MAOBMAPTGSK3BRAB9ANPC1
SCHEMBL11951500 0.80 MAOB (0.60) MAOBMAPTGSK3BRAB9ANPC1
Water SCHEMBL5011619 0.80 MAOB (0.60) MAOBMAPTGSK3BRAB9ANPC1
SCHEMBL3824666 0.77 GSK3B (0.66) MAOBMAPTGSK3BRAB9ANPC1
SCHEMBL2742813 0.77 NPC1 (0.66) MAOBMAPTGSK3BRAB9ANPC1
SCHEMBL30863768 0.76 MAPT (0.86) MAOBMAPTRAB9ANPC1ALDH1A1
Dioxane SCHEMBL28113198 0.76 ALDH1A1 (0.45) MAOBMAPTRAB9ANPC1ALDH1A1
SCHEMBL60648 0.75 KMO (0.67) MAOBMAPTGSK3BRAB9ANPC1
SCHEMBL6262087 0.75 MAOB (0.62) MAOBMAPTGSK3BRAB9ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
WO-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 — — WO disclosed
US-20050187218-A1 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 — — 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-20050187218-A1 Imidazole based kinase inhibitors MAP3K19, MAP3K1, ABL1 MAOB 2141/4885MAPT 2267/4885GSK3B 401/4885

“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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