SCHEMBL1385330

SCHEMBL1385330

O=[N+]([O-])c1cccc(-c2c[nH]nc2OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 3/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
AR P10275 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL1387084 0.86 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL1386673 0.80 SQOR (0.49) MAPTALDH1A1LMNACNR1CNR2
SCHEMBL2584460 0.79 C5AR1 (0.44) CNR1
SCHEMBL1386543 0.79 GABRG2 (0.51) MAPTALDH1A1RAB9ALMNACNR1
SCHEMBL2575484 0.79 CNR1 (0.46) ALDH1A1CNR1KDM4EGAAHPGD
SCHEMBL2575895 0.77 MAOB (0.55) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8684570 0.76 PIN1 (0.58) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL2575349 0.76 PTGER1 (0.49) ALDH1A1RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL1386166 0.74 IDO1 (0.50) MAPTALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL1386169 0.74 IDO1 (0.50) MAPTALDH1A1RAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833078-B2 2011-12-07 JP claimed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN claimed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US claimed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN claimed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 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 (2 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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 CYP19A1 1136/4885CYP11B1 627/4885CYP11B2 395/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 CYP19A1 1150/4885CYP11B1 634/4885CYP11B2 405/4885

“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.