SCHEMBL3596945

SCHEMBL3596945

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.36
AR P10275 1/20 0.33
POLB P06746 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
ACVR1 Q04771 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3614211 0.82 HPGD (0.33) TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3608712 0.78 SMN1; SMN2 (0.39) TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3602203 0.78 NPC1 (0.31)
SCHEMBL3601093 0.78 L3MBTL1 (0.39) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3615618 0.77 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3601746 0.77 ALDH1A1 (0.37) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3607839 0.77 TDP1 (0.36) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3603064 0.77 MAPT (0.32) L3MBTL1
SCHEMBL3611899 0.76 TDP1 (0.35) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3615837 0.75 SMN1; SMN2 (0.37) ALDH1A1

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.