SCHEMBL12848737

SCHEMBL12848737

CC(C)NC(=O)c1nc2c(s1)C1=C(CCC2)CCN(c2nnn(C)n2)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL12848841 0.83 MAPT (0.37) —
SCHEMBL12848456 0.81 — —
SCHEMBL12848559 0.81 TP53 (0.37) ALOX15
SCHEMBL12848842 0.65 — —
SCHEMBL12848912 0.62 SLC27A1 (0.36) —
SCHEMBL12848446 0.61 HPGD (0.37) —
SCHEMBL12848901 0.61 TP53 (0.38) ALOX15
SCHEMBL976666 0.59 HDAC3 (0.40) ALOX15TSHRCASP1
SCHEMBL2988052 0.56 KMT2A (0.41) CASP1
SCHEMBL4999489 0.55 HDAC4 (0.35) —

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ALOX15 159/4885TSHR 4453/4885CASP1 216/4885

“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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