SCHEMBL3612153

SCHEMBL3612153

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(Cl)cc2Cl)c1C=CCOC(=O)NCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
PPOX P50336 1/20 0.31
SHMT2 P34897 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30
PTGDR Q13258 1/20 0.30
GPBAR1 Q8TDU6 2/20 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
SCHEMBL3612147 1.00 POLB (0.34) POLBKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL3596688 0.90 SMN1; SMN2 (0.34) KDM4EALDH1A1HSD17B10HPGDSHMT2
SCHEMBL3596680 0.90 SMN1; SMN2 (0.34) KDM4EALDH1A1HSD17B10HPGDSHMT2
SCHEMBL3604697 0.89 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10HPGDPPOX
SCHEMBL3604694 0.89 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10HPGDPPOX
SCHEMBL3610167 0.82 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDSHMT2
SCHEMBL3610174 0.82 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDSHMT2
SCHEMBL3607759 0.80 L3MBTL1 (0.37) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL3607755 0.80 L3MBTL1 (0.37) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL3605951 0.78 KDM4E (0.35) KDM4EALDH1A1HSD17B10HPGDGPBAR1

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 POLB 3604/4885KMT2A 2269/4885KDM4E 2049/4885

“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.