SCHEMBL2852379

SCHEMBL2852379

N[C@@H](CC(=O)O)C(=O)c1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMO O15229 1/20 0.40
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
G6PD P11413 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CTSD P07339 1/20 0.35
KCNMA1 Q12791 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6069780 0.80 KDM4E (0.49) KDM4EHIF1ATDP1TSHRG6PD
SCHEMBL30367223 0.80 KDM4E (0.48) KDM4EHIF1ATDP1TSHRG6PD
SCHEMBL31013216 0.79 KDM4E (0.63) KDM4EHIF1ATDP1TSHRG6PD
SCHEMBL987976 0.78 HPGD (0.43) KDM4EKMOSMN1; SMN2
SCHEMBL29589123 0.78 GPR35 (0.60) GPR35KDM4ETDP1TSHRCYP1A2
SCHEMBL71886 0.78 GPR35 (0.60) GPR35KDM4ETDP1TSHRCYP1A2
SCHEMBL28745129 0.76 GPR35 (0.58) GPR35KDM4ETDP1TSHRCYP1A2
SCHEMBL29011362 0.75 CA12 (0.47) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL19064516 0.75 KDM4E (0.43) KDM4EHIF1ATDP1TSHRCYP1A2
SCHEMBL11804177 0.75 GPR35 (0.49) GPR35KDM4EHIF1ATSHRCYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069562-A1 Process for the preparation of alfuzosin AUROBINDO PHARMA LTD (IN) 2009-03-12 US claimed
US-10695435-B2 Composition comprising a polymeric reagent NEKTAR THERAPEUTICS (US) 2020-06-30 US disclosed
US-20190046651-A1 COMPOSITION COMPRISING A POLYMERIC REAGENT NEKTAR THERAPEUTICS 2019-02-14 US disclosed
US-10130720-B2 Composition comprising a polymeric reagent NEKTAR THERAPEUTICS (US) 2018-11-20 US disclosed
US-20170348426-A1 COMPOSITION COMPRISING A POLYMERIC REAGENT NEKTAR THERAPEUTICS 2017-12-07 US disclosed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
WO-2010056919-A2 EFLORNITHINE PRODRUGS, CONJUGATES AND SALTS, AND METHODS OF USE THEREOF KYPHIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-6818787-B2 FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS XENOPORT, INC. 2004-11-16 US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US 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 (7 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-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 GPR35 453/4885KDM4E 1341/4885HIF1A 1245/4885
US-20090069562-A1 Process for the preparation of alfuzosin QDPR, OPRD1, OPRK1 GPR35 3561/4885KDM4E 716/4885HIF1A 1746/4885
US-10130720-B2 Composition comprising a polymeric reagent CD44, FCGRT, C9 GPR35 2851/4885KDM4E 3938/4885HIF1A 3257/4885
US-20190046651-A1 COMPOSITION COMPRISING A POLYMERIC REAGENT CD44, FCGRT, C9 GPR35 2851/4885KDM4E 3938/4885HIF1A 3257/4885
US-20170348426-A1 COMPOSITION COMPRISING A POLYMERIC REAGENT CD44, FCGRT, C9 GPR35 2851/4885KDM4E 3938/4885HIF1A 3257/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 GPR35 453/4885KDM4E 1341/4885HIF1A 1245/4885
US-10695435-B2 Composition comprising a polymeric reagent CD44, FCGRT, C9 GPR35 2851/4885KDM4E 3938/4885HIF1A 3257/4885

“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.