SCHEMBL17048685

SCHEMBL17048685

O=[N+]([O-])CC(O)c1c(Cl)cnc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 2/20 0.34
LMNA P02545 1/20 0.34
ATG4B Q9Y4P1 1/20 0.33
POLB P06746 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL17048987 0.78 MEN1 (0.38) MAPTALDH1A1MEN1KMT2AMALT1
SCHEMBL17048798 0.78 MALT1 (0.34) CNR1MEN1KMT2AMALT1POLB
SCHEMBL17048895 0.75 ALDH1A1 (0.42) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL11663605 0.73 ALDH1A1 (0.47) CNR1MAPTALDH1A1
SCHEMBL202480 0.70 MEN1 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL27828301 0.68 ADRB2 (0.47) CNR1ALDH1A1
SCHEMBL6304335 0.68 ADRB2 (0.47) CNR1ALDH1A1
SCHEMBL27828299 0.68 ADRB2 (0.47) CNR1ALDH1A1
SCHEMBL17048847 0.65 ALDH1A1 (0.42) CNR1MAPTALDH1A1MEN1KMT2A
SCHEMBL17048874 0.65 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2A

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 CNR1 542/4885MAPT 3584/4885ALDH1A1 923/4885

“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.