SCHEMBL12319348

SCHEMBL12319348

Cc1ccc(B(OCCN2CCN(CCOB(c3ccc(C)c(Cl)c3)c3ccc(C)c(Cl)c3)CC2)c2ccc(C)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KCNA5 P22460 2/20 0.37
▸ DRD3 P35462 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2408399 0.94 NPC1 (0.41) SMN1; SMN2NPC1DRD3LMNAMAPK1
SCHEMBL2406071 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HTTALDH1A1KMT2AKDM4E
SCHEMBL2404213 0.85 SIGMAR1 (0.42) NPC1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12266241 0.82 CYP3A4 (0.47) DRD3MAPK1ALDH1A1MEN1KMT2A
SCHEMBL12266379 0.80 SMN1; SMN2 (0.50) SMN1; SMN2DRD3MEN1KMT2AKDM4E
SCHEMBL2408889 0.77 HPGD (0.51) SMN1; SMN2NPC1DRD3MAPK1ALDH1A1
SCHEMBL12319130 0.75 SSTR2 (0.43) —
SCHEMBL13476066 0.75 HPGD (0.49) SMN1; SMN2NPC1DRD3MAPK1ALDH1A1
SCHEMBL12271077 0.74 MEN1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL12270761 0.73 LYPLA1 (0.48) DRD3ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 SMN1; SMN2 4119/4885NPC1 4339/4885KCNA5 3105/4885

“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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