SCHEMBL3600965

SCHEMBL3600965

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HPGD P15428 2/20 0.34
GPBAR1 Q8TDU6 6/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.31
SHMT2 P34897 1/20 0.31
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL3602704 0.89 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3602358 0.88 KDM4E (0.37) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3604317 0.86 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3604938 0.86 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3597546 0.85 TSHR (0.36) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3611040 0.85 KDM4E (0.44) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3609078 0.85 KDM4E (0.35) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3598667 0.84 KDM4E (0.37) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3593934 0.84 KDM4E (0.39) KDM4EALDH1A1HSD17B10TSHRHTR2A
SCHEMBL3608530 0.84 TSHR (0.45) KDM4EALDH1A1HSD17B10TSHRHTR2A

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.