SCHEMBL3613962

SCHEMBL3613962

COCOc1cc(Oc2c(C)c(C)nn2C)c(Cl)cc1/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
BACE1 P56817 2/20 0.34
DPP4 P27487 1/20 0.34
SHMT2 P34897 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
P2RX3 P56373 1/20 0.32
GLA P06280 1/20 0.31
CYP1A2 P05177 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
SCHEMBL3613966 1.00 L3MBTL1 (0.39) L3MBTL1ALDH1A1GAAMAPTPLA2G1B
SCHEMBL3617798 0.85 SMN1; SMN2 (0.37) ALDH1A1GAASHMT2KDM4ESMN1; SMN2
SCHEMBL3604252 0.78 SHMT2 (0.33) MAPTSHMT2KDM4E
SCHEMBL3612143 0.77 KDM4E (0.44) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL3612139 0.77 KDM4E (0.44) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL3606636 0.74 SHMT2 (0.31) SHMT2
SCHEMBL3613244 0.74 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1GAAMAPTPLA2G1B
SCHEMBL3613237 0.74 SMN1; SMN2 (0.49) L3MBTL1ALDH1A1GAAMAPTPLA2G1B
SCHEMBL3602714 0.73 CYP1A2 (0.34) L3MBTL1ALDH1A1GAAMAPTKDM4E
SCHEMBL3601056 0.72 SMN1; SMN2 (0.40) ALDH1A1GAAMAPTSHMT2KDM4E

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 L3MBTL1 3563/4885ALDH1A1 365/4885GAA 405/4885

“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.