SCHEMBL2969622

SCHEMBL2969622

COC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MET P08581 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H2 P55055 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
BACE1 P56817 1/20 0.41
MAPK8 P45983 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL31220479 0.89 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL2977592 0.89 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMAPK1MET
SCHEMBL22835148 0.83 MAPT (0.55) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL20140223 0.83 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMAPK1MET
SCHEMBL2973720 0.83 ALDH1A1 (0.73) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL1063164 0.81 MAPT (0.52) ALDH1A1MAPTLMNAKDM4EMET
SCHEMBL23044897 0.80 MAPT (0.63) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL21683051 0.80 SIRT6 (0.70) ALDH1A1MAPTLMNAKDM4EMET
SCHEMBL31318468 0.80 MAPT (0.63) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL30998112 0.79 MAPT (0.63) ALDH1A1MAPTLMNAMAPK1MET

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 US disclosed
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 US disclosed
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 US disclosed
US-7452890-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-18 US disclosed
US-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 US disclosed
US-7417046-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-7393850-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-01 US disclosed
US-7388011-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-06-17 US disclosed
US-7332494-B2 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-19 US disclosed
US-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
EP-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 EP disclosed
CN-1468239-A Substituted pyrazoles ����-������ҩƷ��˾ 2004-01-14 CN disclosed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 US disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014314-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (6 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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885MAPT 3389/4885LMNA 2668/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885MAPT 3389/4885LMNA 2668/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885MAPT 3389/4885LMNA 2668/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 ALDH1A1 1241/4885MAPT 2904/4885LMNA 4726/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 ALDH1A1 1241/4885MAPT 2904/4885LMNA 4726/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV ALDH1A1 2313/4885MAPT 3187/4885LMNA 2773/4885

“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.