SCHEMBL3595566

SCHEMBL3595566

Cc1cc(Br)c(OCc2ccccc2)cc1Oc1c(C=CC(=O)O)c(C2CC2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
PTGER4 P35408 7/20 0.37
PTGER2 P43116 7/20 0.37
PTGER1 P34995 7/20 0.37
PTGER3 P43115 6/20 0.37
AKR1C3 P42330 3/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP1A2 P05177 1/20 0.34
ABCB1 P08183 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
SCHEMBL3595561 1.00 KDM4E (0.38) KDM4ELMNAPTGER4PTGER2PTGER1
SCHEMBL3612380 0.89 PTPN1 (0.37) KDM4ELMNAPTGER1PTPN1ALDH1A1
SCHEMBL3610906 0.83 ALDH1A1 (0.34) KDM4EAKR1C3ALDH1A1
SCHEMBL3610914 0.83 ALDH1A1 (0.34) KDM4EAKR1C3ALDH1A1
SCHEMBL3600881 0.83 HTR2A (0.37) PTGER1PTPN1HTR2AHTR2CFFAR4
SCHEMBL3599357 0.78 CYP1A2 (0.45) KDM4ELMNAPTGER1PTPN1ALDH1A1
SCHEMBL3613728 0.74 L3MBTL1 (0.40) PTGER1PTPN1PKMHTR2AHTR2C
SCHEMBL3608298 0.71
SCHEMBL3605127 0.70 POLB (0.43) LMNAPTGER1PTPN1PKMHTR2A
SCHEMBL3607405 0.66 ALDH1A1 (0.42) KDM4ELMNAPTGER4PTGER2ALDH1A1

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 2049/4885LMNA 4306/4885PTGER4 2282/4885

“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.