SCHEMBL3607839

SCHEMBL3607839

Cc1nn(C)c(Sc2cc(OC(C)(C)C(=O)O)c(Cl)cc2Cl)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARA Q07869 11/20 0.32
PPARG P37231 8/20 0.32
LMNA P02545 1/20 0.32
PPARD Q03181 11/20 0.32
SLC22A12 Q96S37 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 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
SCHEMBL3601093 0.83 L3MBTL1 (0.39) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3601746 0.82 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3615618 0.82 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3611899 0.81 TDP1 (0.35) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3596945 0.77 TDP1 (0.41) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3610769 0.76 SMN1; SMN2 (0.35) TDP1L3MBTL1ALDH1A1LMNA
SCHEMBL3602949 0.71 PTGDR2 (0.35) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3605174 0.68 ALDH1A1 (0.40) TDP1ALDH1A1KMT2APPARGLMNA
SCHEMBL5157805 0.67 PPARA (0.50) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3609770 0.66 SMN1; SMN2 (0.37) L3MBTL1PPARAPPARGPPARDSLC16A3

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R TDP1 2502/4885L3MBTL1 3563/4885ALDH1A1 365/4885

“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.