SCHEMBL3605289

SCHEMBL3605289

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(Cl)cc2Cl)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
GPBAR1 Q8TDU6 14/20 0.39
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3608009 0.90 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3607857 0.89 KDM4E (0.41) KDM4EMAPTALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL3608599 0.88 KDM4E (0.41) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3604317 0.86 KDM4E (0.42) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3604938 0.86 KDM4E (0.42) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3608078 0.85 GPBAR1 (0.46) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3602180 0.83 TSHR (0.37) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3608325 0.83 KDM4E (0.39) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3597585 0.83 SMN1; SMN2 (0.48) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL3608007 0.83 KDM4E (0.39) KDM4EMAPTALDH1A1HSD17B10HPGD

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 2049/4885MAPT 3754/4885ALDH1A1 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.