SCHEMBL4928114

SCHEMBL4928114

Cc1ccccc1N1Cc2cn(-c3ccccc3)nc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL4928110 0.86 NPC1 (0.45) ADORA2AADORA3LMNAALDH1A1SMN1; SMN2
SCHEMBL2704466 0.72 KCNN4 (0.54) LMNAGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL14933443 0.72 SMN1; SMN2 (0.53) LMNAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL23402655 0.67 NPC1 (0.47) LMNAGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL7852486 0.64 PTGS2 (0.57) LMNAGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL11829511 0.63 RAB9A (0.42) ADORA2ALMNAGAAALDH1A1SMN1; SMN2
SCHEMBL22997125 0.63 NPC1 (0.61) LMNAGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL21539292 0.63 NPC1 (0.50) LMNAGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL29842935 0.62 DRD4 (0.55) LMNAALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL3428661 0.62 NPC1 (0.61) LMNAGAASMN1; SMN2HPGDRAB9A

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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 — — 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 ADORA2A 3259/4885ADORA3 2779/4885LMNA 1368/4885

“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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