SCHEMBL5495288

SCHEMBL5495288

CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
POLB P06746 1/20 0.57
CYP19A1 P11511 1/20 0.54
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
VCAM1 P19320 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 2/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9570744 0.95 HTT (0.57) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL13598125 0.87 TSHR (0.65) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL11442603 0.86 TSHR (0.55) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL8570170 0.86 HTT (0.48) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL16951824 0.86 HTT (0.48) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL1069365 0.86 HTT (0.48) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL16960540 0.86 HTT (0.48) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL7786787 0.86 HTT (0.58) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL18416742 0.86 HTT (0.48) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL9499200 0.86 HTT (0.48) HTTPOLBCYP19A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN claimed
EP-1310487-B1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI SEIYAKU CO (JP) 2007-01-03 EP claimed
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. 2005-12-08 US claimed
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-29 US claimed
EP-1310487-A1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP claimed
CN-110713454-B Nitro-substituted indole compound and preparation method thereof 南京工业大学 2022-12-09 CN disclosed
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN disclosed
US-20180008604-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC 2018-01-11 US disclosed
US-20150218632-A1 SYSTEM AND METHODS FOR NUCLEIC ACID SEQUENCING OF SINGLE MOLECULES BY POLYMERASE SYNTHESIS LI-COR, INC. 2015-08-06 US disclosed
US-8530154-B2 System and method for nucleic acid sequencing by polymerase synthesis PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2013-09-10 US disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-7632820-B2 4'-desoxy-4'-(phenylamino-carbonyl-hydrazono)-avermectin B1 monosaccharide; biocidal, very broad spectrum at low concentrations; endo-/ectopararsiticides in humans; insecticides; nematocides; miticides; agriculture; crops; veterinary medicine MERIAL LIMITED (US) 2009-12-15 US disclosed
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-29 US disclosed
EP-1310487-A1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP disclosed
EP-0829473-B1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2002-08-07 EP disclosed
EP-1148047-A2 Processes for preparing cyclic compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed
US-6218548-B1 (TRIARYLMETHYL)AMINOSPIROPYRROLES DAIICHI PAHARMACEUTICAL CO., LTD. (JP) 2001-04-17 US disclosed
US-6013806-A ANTIBACTEIRAL DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
US-5856518-A Production process of cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0829473-A1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-18 EP 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 (4 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-20180008604-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 HTT 4582/4885POLB 376/4885CYP19A1 589/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 HTT 59/4885POLB 2890/4885CYP19A1 2105/4885
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, CYP51A1, WEE1 HTT 4164/4885POLB 237/4885CYP19A1 144/4885
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, WEE1, CYP51A1 HTT 4150/4885POLB 257/4885CYP19A1 150/4885

“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.