SCHEMBL408308

SCHEMBL408308

O=C(O)c1cccc(-c2cccc([N+](=O)[O-])c2O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.59
GPR35 Q9HC97 1/20 0.51
TP53 P04637 1/20 0.51
CASP6 P55212 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMO O15229 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 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
SCHEMBL31415060 1.00 ERN1 (0.59) ERN1GPR35TP53CASP6CRHBP
SCHEMBL28669741 0.88 ALDH1A1 (0.64) ERN1TP53CASP6KMOALDH1A1
SCHEMBL29386074 0.86 ERN1 (0.57) ERN1TP53CASP6CRHBPCRHR2
SCHEMBL2404465 0.86 ERN1 (0.57) ERN1TP53CASP6CRHBPCRHR2
SCHEMBL2403547 0.85 GPR35 (0.55) ERN1GPR35CASP6ALDH1A1TDP1
SCHEMBL13482044 0.84 ERN1 (0.51) ERN1TP53CASP6KMOALDH1A1
SCHEMBL3360547 0.83 ERN1 (0.57) ERN1TP53CASP6CRHBPCRHR2
SCHEMBL3360693 0.83 ERN1 (0.57) ERN1GPR35TP53CASP6CRHBP
SCHEMBL5605382 0.82 TDP1 (0.69) ERN1GPR35CASP6CRHBPCRHR2
Bromide SCHEMBL3516464 0.82 ERN1 (0.56) ERN1TP53CASP6CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 US claimed
WO-2021001044-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF ELTROMBOPAG OR SALT THEREOF F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2021-01-07 WO disclosed
US-20170275255-A1 CRYSTALLINE FORM OF ELTROMBOPAG FREE ACID HETERO RESEARCH FOUNDATION (IN) 2017-09-28 US disclosed
US-20170275255-A1 CRYSTALLINE FORM OF ELTROMBOPAG FREE ACID HETERO RESEARCH FOUNDATION (IN) 2017-09-28 US disclosed
US-9440927-B2 Process for preparation of substituted 3'-hydroazino-diphenyl-3-carboxylic acid compounds GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-09-13 US disclosed
US-9440927-B2 Process for preparation of substituted 3'-hydroazino-diphenyl-3-carboxylic acid compounds GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-09-13 US disclosed
CN-104592033-A Synthetic method of promacta key intermediate HANGZHOU HEZE PHARMACEUTICAL TECHNOLOGY CO LTD 2015-05-06 CN disclosed
EP-2865662-A1 Process for the preparation of a thrombopoietin agonist Dipharma Francis S.r.l. (IT) 2015-04-29 EP disclosed
US-20150093356-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2015-04-02 US disclosed
US-20150087845-A1 PROCESS FOR PREPARATION OF SUBSTITUTED 3'-HYDROAZINO-DIPHENYL-3-CARBOXYLIC ACID COMPOUNDS GLENMARK GENERICS LIMITED (IN) 2015-03-26 US disclosed
US-20040077855-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
US-20040053299-A1 Regulated activation of cell-membrane receptors by metal-chelating agonists SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 US disclosed
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1370252-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-12-17 EP disclosed
EP-1351979-A1 REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS SmithKline Beecham Corporation (US) 2003-10-15 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2002085343-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-31 WO disclosed
WO-2002057300-A1 REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-25 WO disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 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 (5 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-20040077855-A1 Thrombopoietin mimetics MPL, THPO, TEK ERN1 4585/4885GPR35 2375/4885TP53 2015/4885
US-20040053299-A1 Regulated activation of cell-membrane receptors by metal-chelating agonists CASR, TRPM8, TRPM6 ERN1 3391/4885GPR35 390/4885TP53 1615/4885
US-20150093356-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ERN1 4239/4885GPR35 2399/4885TP53 2566/4885
US-20170275255-A1 CRYSTALLINE FORM OF ELTROMBOPAG FREE ACID ACKR3, PLG, GCG ERN1 1286/4885GPR35 1326/4885TP53 3034/4885
US-20150087845-A1 PROCESS FOR PREPARATION OF SUBSTITUTED 3'-HYDROAZINO-DIPHENYL-3-CARBOXYLIC ACID COMPOUNDS CYP3A5, UGT1A3, HPD ERN1 4747/4885GPR35 2110/4885TP53 3112/4885

“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.