SCHEMBL6503038

SCHEMBL6503038

CCc1c(Br)cncc1CN(CC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
NAMPT P43490 1/20 0.33
NLRP3 Q96P20 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2128466 0.86 SSTR4 (0.39) SSTR4NAMPTNLRP3HDAC3HDAC1
SCHEMBL29843420 0.76 SSTR4 (0.34) SSTR4
SCHEMBL20517822 0.76 SSTR4 (0.34) SSTR4
SCHEMBL16501844 0.74 SSTR4 (0.41) SSTR4NLRP3HDAC3HDAC1HDAC2
SCHEMBL20525185 0.73 SSTR4 (0.32) SSTR4
SCHEMBL20517408 0.71 CYP17A1 (0.38) NAMPTHDAC3NCOR2
SCHEMBL24595056 0.71 GABRA1 (0.34)
SCHEMBL6501824 0.70 CACNA1G (0.41) SSTR4
SCHEMBL1921998 0.70 PTGDR2 (0.47) SSTR4
SCHEMBL31226440 0.69 HDAC3 (0.37) SSTR4NAMPTNLRP3HDAC3HDAC1

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 SSTR4 2514/4885NAMPT 671/4885NLRP3 3852/4885

“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.