SCHEMBL4925602

SCHEMBL4925602

COc1ccc2c(c1)N(c1ccc(C)cc1)Cc1c[nH]nc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 6/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CUL4A Q13619 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 3/20 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
SCHEMBL4925608 0.82 L3MBTL1 (0.40) MEN1KMT2ANPC1RAB9APKM
SCHEMBL2705166 0.79 KDM4E (0.52) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL2703634 0.72 KMT2A (0.47) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL4928107 0.71 MAPT (0.34) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL643615 0.69 KDM4E (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10086218 0.68 KMT2A (0.64) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL12307047 0.65 SRD5A1 (0.56) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL16786533 0.64 ACHE (0.58) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL16848202 0.63 AOC3 (0.61) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL29698756 0.62 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGAANPC1

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 SMN1; SMN2 1394/4885MEN1 2805/4885KMT2A 2307/4885

“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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