SCHEMBL3605185

SCHEMBL3605185

Cn1nc(C(F)(F)F)c(CO)c1Oc1cc(O)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER4 P35408 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CCR1 P32246 2/20 0.32
MAPK8 P45983 1/20 0.32
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL3600146 0.91 EPHA2 (0.38) EPHA2KDREPHB4SMN1; SMN2L3MBTL1
SCHEMBL3608626 0.84 L3MBTL1 (0.35) EPHA2KDREPHB4SMN1; SMN2L3MBTL1
SCHEMBL3611386 0.80 CYP1A2 (0.34) EPHA2KDREPHB4L3MBTL1TDP1
SCHEMBL3605605 0.80 CYP1A2 (0.38) SMN1; SMN2L3MBTL1TDP1PTGER4MEN1
SCHEMBL3605182 0.76 CYP1A2 (0.32) EPHA2KDREPHB4L3MBTL1TDP1
SCHEMBL3605179 0.76 CYP1A2 (0.32) EPHA2KDREPHB4L3MBTL1TDP1
SCHEMBL3614277 0.76 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1KMT2ACYP1A2CYP2C9
SCHEMBL3610957 0.75 NPC1 (0.38) SMN1; SMN2L3MBTL1CYP1A2CYP2C19LMNA
SCHEMBL3600270 0.75 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1KMT2ALMNAALDH1A1
SCHEMBL3608399 0.74 PTGER4 (0.30) PTGER4

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 EPHA2 4826/4885KDR 4497/4885EPHB4 4262/4885

“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.