SCHEMBL3509802

SCHEMBL3509802

Cc1csc(CN(C)C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(C)c3cncc(Br)c3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
BACE1 P56817 11/20 0.39
BACE2 Q9Y5Z0 5/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSD P07339 4/20 0.36
CTSL P07711 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL3508857 0.93 BACE1 (0.40) BACE1BACE2CYP3A4CTSDMEN1
SCHEMBL4218556 0.93 BACE1 (0.40) BACE1BACE2CYP3A4CTSDMEN1
SCHEMBL4213633 0.93 BACE1 (0.40) BACE1BACE2CYP3A4CTSDMEN1
SCHEMBL3510514 0.92 BACE1 (0.39) BACE1BACE2CYP3A4CTSD
SCHEMBL4218451 0.92 BACE1 (0.40) BACE1BACE2CYP3A4CTSD
SCHEMBL4204589 0.92 BACE1 (0.40) BACE1BACE2CYP3A4CTSD
SCHEMBL3511560 0.92 BACE1 (0.39) CCR1BACE1BACE2CYP3A4CTSD
SCHEMBL3509367 0.92 BACE1 (0.39) BACE1BACE2CYP3A4CTSDMEN1
SCHEMBL4208737 0.91 BACE1 (0.41) CCR1BACE1BACE2CYP3A4CTSD
SCHEMBL3510454 0.91 BACE1 (0.41) BACE1BACE2CYP3A4CTSDLMNA

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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US claimed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP CCR1 4849/4885BACE1 1/4885BACE2 2/4885

“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.