Sugi Predict

Sugi Predict / Compounds / SCHEMBL4353073

SCHEMBL4353073

SCHEMBL4353073

[O]C(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.59
▸ ALDH1A1 P00352 8/20 0.53
▸ TSHR P16473 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ TDP1 Q9NUW8 5/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.46
▸ PTPRC P08575 1/20 0.46
▸ S100A4 P26447 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ STAT6 P42226 1/20 0.42

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
SCHEMBL2027982 0.84 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL31482892 0.84 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4078018 0.84 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3327700 0.83 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3697952 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28822263 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5281897 0.81 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL29538594 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11034569 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28153395 0.81 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 — — EP disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 — — EP disclosed
EP-1923397-B1 Fluorinated amino acids and peptides NERVIANO MEDICAL SCIENCES SRL (IT) 2009-10-28 — — EP disclosed
EP-1923397-A1 Fluorinated amino acids and peptides NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-05-21 — — EP disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 — — US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 — — US disclosed
US-7012147-B2 Enzyme inhibitors; chemical intermediates SANKYO COMPANY, LIMITED (JP) 2006-03-14 — — US disclosed
US-20060014965-A1 Indoline derivative and process for producing the same SANKYO COMPANY, LIMITED (JP) 2006-01-19 — — US disclosed
US-20040058979-A1 Indoline derivative and process for producing the same SANKYO COMPANY, LIMITED (JP) 2004-03-25 — — US disclosed
EP-1364942-A1 INDOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Sankyo Company, Limited (JP) 2003-11-26 — — EP disclosed
WO-1996040693-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-12-19 — — WO disclosed
WO-1996040677-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 — — WO disclosed
WO-1996040678-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 — — WO disclosed
WO-1996040676-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 — — WO disclosed
US-5569772-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-10-29 — — US disclosed
US-5514826-A INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1996-05-07 — — US disclosed
US-5512701-A REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN ELI LILLY AND COMPANY (US) 1996-04-30 — — US disclosed
EP-0251827-B1 NEW CYCLIC ETHER DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-09-15 — — EP disclosed
US-4891363-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY LIMITED (JP) 1990-01-02 — — US disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 — — 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 (3 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-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR CYP1A2 221/4885ALDH1A1 1813/4885TSHR 446/4885
US-20060014965-A1 Indoline derivative and process for producing the same ACAT2, ACAT1, INMT CYP1A2 223/4885ALDH1A1 329/4885TSHR 3766/4885
US-20040058979-A1 Indoline derivative and process for producing the same ACAT2, ACAT1, INMT CYP1A2 223/4885ALDH1A1 329/4885TSHR 3766/4885

“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.