SCHEMBL17048874

SCHEMBL17048874

Cc1cc(Cl)c(C(O)C[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 7/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR35 Q9HC97 1/20 0.36
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL17048847 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL17048804 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL17048821 0.81 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL18252873 0.80 MAPT (0.43) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL11663605 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ENLRP1GAA
SCHEMBL17048895 0.79 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL17048875 0.71 GPR35 (0.36) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL17048974 0.71 ALDH1A1 (0.33) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL531072 0.70 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL17048711 0.70 MAPT (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A

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.