SCHEMBL2977262

SCHEMBL2977262

CCOC(=O)c1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 3/20 0.52
GALR2 O43603 1/20 0.52
MITF O75030 1/20 0.52
POLB P06746 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
CCR6 P51684 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 6/20 0.51
HSD17B10 Q99714 1/20 0.46
CACNA1C Q13936 1/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL3481205 0.85 TSHR (0.64) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL1523174 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL1611630 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL11464655 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL3075836 0.83 TSHR (0.53) ALDH1A1SMN1; SMN2TSHRLMNAPOLB
SCHEMBL8834285 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL3481182 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL8991983 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL4135400 0.82 THRB (0.55) ALDH1A1SMN1; SMN2GAATSHRLMNA
SCHEMBL4728649 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015020553-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-02-12 WO disclosed
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-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
US-20070004754-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
US-20070004755-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
US-20070004747-A1 Inhibiting the proteolytic activity of cathepsin S; 1-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2-ol; antiarthritic agent; autoimmune disease: lupus, rheumatoid arthritis, and asthma 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
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 2453/4885SMN1; SMN2 3565/4885GAA 40/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885SMN1; SMN2 3565/4885GAA 40/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885SMN1; SMN2 3565/4885GAA 40/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 ALDH1A1 1241/4885SMN1; SMN2 4614/4885GAA 1172/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 ALDH1A1 1241/4885SMN1; SMN2 4614/4885GAA 1172/4885
US-20070004747-A1 Inhibiting the proteolytic activity of cathepsin S; 1-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2-ol; antiarthritic agent; autoimmune disease: lupus, rheumatoid arthritis, and asthma CTSS, CTSV, CTSZ ALDH1A1 3017/4885SMN1; SMN2 4279/4885GAA 134/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885SMN1; SMN2 3565/4885GAA 40/4885
US-20070004755-A1 Substituted pyrazoles CTSS, CTSZ, CTSB ALDH1A1 2453/4885SMN1; SMN2 3565/4885GAA 40/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV ALDH1A1 2313/4885SMN1; SMN2 3550/4885GAA 38/4885

“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.