SCHEMBL4928110

SCHEMBL4928110

Cc1ccc(N2Cc3cn(-c4ccccc4)nc3-c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PTGS2 P35354 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CNR1 P21554 2/20 0.39

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
SCHEMBL4928114 0.86 ADORA2A (0.37) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL2704466 0.79 KCNN4 (0.54) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL11965829 0.74 SMN1; SMN2 (0.66) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL2704449 0.68 ALDH1A1 (0.48) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL3428661 0.67 NPC1 (0.61) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL13890467 0.67 MEN1 (0.68) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10028840 0.66 PTGS2 (0.67) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL24182597 0.66 LMNA (0.41) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL10101790 0.66 CA12 (0.43) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL23400555 0.64 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2MEN1

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 NPC1 245/4885RAB9A 1268/4885MAPT 72/4885

“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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