SCHEMBL26802272

SCHEMBL26802272

CC(=O)CCc1ccc2c(c1)nnn2OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CTNNB1 P35222 6/20 0.39
▸ TCF7L2 Q9NQB0 1/20 0.39
▸ HDAC3 O15379 4/20 0.38
▸ HDAC4 P56524 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC7 Q8WUI4 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC10 Q969S8 4/20 0.38

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
SCHEMBL26802184 0.81 HCAR3 (0.54) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL26803906 0.80 MAPT (0.41) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL27800469 0.73 HDAC3 (0.36) NPC1RAB9ASMN1; SMN2MAPTCTNNB1
SCHEMBL26802269 0.73 MAPT (0.51) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL27601679 0.73 HDAC3 (0.38) NPC1RAB9ASMN1; SMN2MAPTHDAC3
SCHEMBL2608492 0.72 HDAC3 (0.61) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL26807042 0.72 CTNNB1 (0.35) NPC1RAB9ASMN1; SMN2CTNNB1TCF7L2
SCHEMBL11138777 0.71 HDAC3 (0.59) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL16831705 0.70 HCAR3 (0.57) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL26802263 0.68 HDAC3 (0.51) NPC1RAB9ASMN1; SMN2MAPTHDAC3

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-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 — — 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-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A NPC1 1404/4885RAB9A 267/4885SMN1; SMN2 1890/4885

“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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