SCHEMBL6508147

SCHEMBL6508147

CCCN(Cc1cccc(Br)c1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
PTGES O14684 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PKM P14618 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SSTR4 P31391 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CHRM2 P08172 1/20 0.38

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
SCHEMBL24387236 0.90 RIPK1 (0.53) RIPK1PTGESHDAC1HDAC3HDAC2
SCHEMBL3567836 0.88 RIPK1 (0.46) RIPK1PTGESHDAC1HDAC3HDAC2
SCHEMBL13166754 0.88 RIPK1 (0.52) RIPK1PTGESHDAC1HDAC3HDAC2
SCHEMBL5929899 0.85 GRIN2D (0.47) PTGESHDAC1HDAC3HDAC2NCOR2
SCHEMBL19642921 0.85 RIPK1 (0.48) RIPK1PTGESHDAC1HDAC3HDAC2
SCHEMBL17393769 0.84 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2PKM
SCHEMBL9060170 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2NCOR2PKM
SCHEMBL862057 0.84 PTGES (0.48) RIPK1PTGESHDAC1HDAC3HDAC2
SCHEMBL4398498 0.82 RIPK1 (0.53) RIPK1PTGESCTSBCTSSCTSK
SCHEMBL2176070 0.81 RIPK1 (0.63) RIPK1PTGESCTSBCTSSCTSK

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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 RIPK1 310/4885PTGES 631/4885HDAC1 403/4885

“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.