SCHEMBL17048847

SCHEMBL17048847

O=[N+]([O-])CC(O)c1c(Cl)cc(I)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.34
CNR1 P21554 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
CPA1 P15085 3/20 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
SCHEMBL17048874 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETSHRKMT2A
SCHEMBL17048804 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETSHRCNR1
SCHEMBL11663605 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECNR1GAA
SCHEMBL17048895 0.79 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ETSHRCNR1
SCHEMBL17048821 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETSHRKMT2A
SCHEMBL17048849 0.71 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL17057122 0.70 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL8684302 0.70 ALDH1A1 (0.57) ALDH1A1TSHRHTTLMNA
SCHEMBL17048813 0.70 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ETSHRCNR1
SCHEMBL17533426 0.68 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETSHRCPA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
EP-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA ALDH1A1 923/4885MAPT 3584/4885KDM4E 986/4885

“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.