SCHEMBL3605250

SCHEMBL3605250

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(Cl)cc2Cl)c1/C=C/C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPBAR1 Q8TDU6 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL3605253 1.00 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3603328 0.87 PTGER4 (0.34) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3603323 0.87 PTGER4 (0.34) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3611050 0.86 SMN1; SMN2 (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3597585 0.86 SMN1; SMN2 (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3614202 0.86 SLC22A12 (0.35) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3614206 0.86 SLC22A12 (0.35) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3610174 0.85 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3610167 0.85 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3605072 0.85 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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 KDM4E 2049/4885ALDH1A1 365/4885HSD17B10 390/4885

“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.