SCHEMBL3604090

SCHEMBL3604090

Cc1nn(C)c(Sc2cc(C=O)c(Cl)cc2Cl)c1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 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
SCHEMBL3614211 0.80 HPGD (0.33) TDP1KDM4EALDH1A1MAPTPKM
SCHEMBL3614258 0.80 NMT1 (0.33) TDP1KDM4EALDH1A1MAPTPKM
SCHEMBL3608712 0.76 SMN1; SMN2 (0.39) TDP1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3610097 0.76 SMN1; SMN2 (0.39) TDP1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3605174 0.72 ALDH1A1 (0.40) TDP1CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL9416364 0.71 SMN1; SMN2 (0.48) TDP1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3599746 0.67 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL3606243 0.67 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL3603064 0.67 MAPT (0.32) MAPTSMN1; SMN2L3MBTL1
SCHEMBL9416348 0.66 HTT (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT

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 2502/4885CYP1A2 137/4885CYP2C9 145/4885

“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.