SCHEMBL2746656

SCHEMBL2746656

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)C(O)OP(=O)(O)O)c2cc1C.[NaH]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.75
▸ NR3C1 P04150 1/20 0.75
▸ ADRB2 P07550 1/20 0.75
▸ HTR2C P28335 1/20 0.75
▸ ADRA1A P35348 1/20 0.75
▸ PTGS2 P35354 1/20 0.75
▸ MEN1 O00255 7/20 0.69
▸ KMT2A Q03164 7/20 0.69
▸ USP2 O75604 4/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ HAT1 O14929 4/20 0.69
▸ RBBP7 Q16576 4/20 0.69
▸ HTT P42858 4/20 0.69
▸ RECQL P46063 3/20 0.69
▸ CASP7 P55210 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ CASP1 P29466 2/20 0.69
▸ BRCA1 P38398 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ TST Q16762 2/20 0.69

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
SCHEMBL16293291 0.99 ESR1 (0.77) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL24238132 0.96 ESR1 (0.78) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL14598781 0.89 ESR1 (0.67) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL1532396 0.86 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL297863 0.86 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL41133 0.86 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL190079 0.86 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin SCHEMBL20528621 0.86 MEN1 (0.90) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL6369069 0.85 MEN1 (0.73) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL6681480 0.85 ESR1 (0.98) ESR1NR3C1ADRB2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822604-B1 COLORING SUBSTANCE FOR DIAGNOSTIC OPHTALMOLOGIC USE IROS R C S R L (IT) 2018-09-05 — — EP claimed
US-9370587-B2 Coloring substance for diagnostic ophtalmologic use Caruso, Ciro (IT) 2016-06-21 — — US claimed
EP-2822604-A1 COLORING SUBSTANCE FOR DIAGNOSTIC OPHTALMOLOGIC USE Iros R.C. S.r.l. (IT) 2015-01-14 — — EP claimed
US-20140371569-A1 COLORING SUBSTANCE FOR DIAGNOSTIC OPHTALMOLOGIC USE IROS R.C. S.R.L. (IT) 2014-12-18 — — US claimed
WO-2013132396-A1 COLORING SUBSTANCE FOR DIAGNOSTIC OPHTALMOLOGIC USE DEL PRETE, ANTONIO (IT) 2013-09-12 — — WO claimed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 — — US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 — — US claimed
US-6746678-B1 Method of treating neurological diseases and etiologically related symptomology using carbonyl trapping agents in combination with medicaments SECANT PHARMA, LLC 2004-06-08 — — US claimed
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 — — US claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 — — EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 — — EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 — — WO claimed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 — — US disclosed
US-7501138-B2 Liquid food/drink containing fat-soluble vitamin and method of stabilizing fat-soluble vitamin KYOWA HAKKO FOOD SPECIALITIES CO., LTD. (JP) 2009-03-10 — — US disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 — — US disclosed
EP-1841460-A2 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES Neurochem (International) Limited (CH) 2007-10-10 — — EP disclosed
US-6746678-B1 Method of treating neurological diseases and etiologically related symptomology using carbonyl trapping agents in combination with medicaments SECANT PHARMA, LLC 2004-06-08 — — US disclosed
US-6444221-B1 ADMINISTERING AMINOBENZOIC ACID SECANT PHARMA, LLC 2002-09-03 — — US disclosed
EP-0523582-B1 Improved process for preparing riboflavin 5'-phosphate ester monosodium salt BASF AG (DE) 1998-10-14 — — EP disclosed
EP-0523582-A1 Improved process for preparing riboflavin 5'-phosphate ester monosodium salt BASF Aktiengesellschaft (DE) 1993-01-20 — — 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-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES ESR1 3419/4885NR3C1 2106/4885ADRB2 2787/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 ESR1 3494/4885NR3C1 2322/4885ADRB2 3072/4885
US-20140371569-A1 COLORING SUBSTANCE FOR DIAGNOSTIC OPHTALMOLOGIC USE ALDH1A2, ADH1B, ADH7 ESR1 3682/4885NR3C1 1717/4885ADRB2 1696/4885

“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.

Send feedback