SCHEMBL3294199

SCHEMBL3294199

CCCOc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
CYP19A1 P11511 6/20 0.60
MAPT P10636 5/20 0.54
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 2/20 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
SCHEMBL4378454 0.92 HTT (0.61) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL4800134 0.91 CYP19A1 (0.61) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL11216634 0.90 HTT (0.66) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL3296474 0.89 CYP19A1 (0.63) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL3293148 0.89 CYP19A1 (0.63) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL10339898 0.89 CYP19A1 (0.63) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL397794 0.89 TDP1 (0.64) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL29469600 0.89 TDP1 (0.64) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL11220203 0.88 HTT (0.64) HTTCYP19A1MAPTTDP1ALDH1A1
SCHEMBL11220987 0.88 HTT (0.64) HTTCYP19A1MAPTTDP1ALDH1A1

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
US-7741520-B2 Sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-06-22 US disclosed
EP-1411090-B1 Monoazo reactive red dyestuff EVERLIGHT USA INC (US) 2009-11-25 EP disclosed
EP-1984325-A2 SULFONANILIDE ANALOGS AS SELECTIVE AROMATASE MODULATORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-29 EP disclosed
US-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY (US) 2008-02-21 US disclosed
WO-2007120379-A2 SULFONANILIDE ANALOGS AS SELECTIVE AROMATASE MODULATORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-10-25 WO disclosed
CN-1257233-C Monoazo Reactive Red Dye EVERLIGHT CHEM IND CORP (CN) 2006-05-24 CN disclosed
US-6815536-B2 DYESTUFFS FOR DYEING AND PRINTING OF MATERIALS CONTAINING EITHER CELLULOSE FIBERS, SUCH AS COTTON, ARTIFICIAL COTTON, LINEN, AND ARTIFICIAL LINEN, OR SYNTHETIC POLYAMIDE, SUCH AS WOOL, SILK, AND NYLON ETC. EVERLIGHT USA, INC. 2004-11-09 US disclosed
US-20040087780-A1 Monoazo reactive red dyestuff EVERLIGHT USA, INC. 2004-05-06 US disclosed
CN-1493623-A Monoazo Reactive Red Dye 台湾永光化学工业股份有限公司 2004-05-05 CN disclosed
EP-1411090-A1 Monoazo reactive red dyestuff Everlight USA, Inc. (US) 2004-04-21 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 (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-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) CYP19A1, AR, SULT2A1 HTT 3747/4885CYP19A1 1/4885MAPT 4778/4885

“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.