SCHEMBL1688337

SCHEMBL1688337

O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.69
AKR1C2 P52895 4/20 0.69
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
GFER P55789 1/20 0.68
MYC P01106 2/20 0.64
MAX P61244 1/20 0.64
MAPT P10636 7/20 0.64
CTSV O60911 1/20 0.64
CTSL P07711 1/20 0.64
AKR1B1 P15121 2/20 0.58
AKR1C4 P17516 2/20 0.58
AKR1C1 Q04828 2/20 0.58
AKR1B10 O60218 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.57
HCAR3 P49019 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CDC25B P30305 1/20 0.52

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
SCHEMBL22720195 0.90 CTSV (0.78) AKR1C3AKR1C2MEN1KMT2AMYC
SCHEMBL6141339 0.89 CTSV (0.76) AKR1C3AKR1C2MEN1KMT2AMYC
SCHEMBL10956197 0.88 MAPT (0.64) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL22720115 0.87 MYC (0.65) AKR1C3AKR1C2MEN1KMT2AMYC
SCHEMBL18667006 0.86 HCAR3 (0.72) AKR1C3AKR1C2MEN1KMT2AMYC
SCHEMBL453183 0.85 AKR1C3 (0.68) AKR1C3AKR1C2MEN1KMT2AMYC
SCHEMBL21248526 0.85 AKR1C3 (0.67) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL23567 0.85 AKR1C3 (0.67) AKR1C3AKR1C2MEN1KMT2AGFER
SCHEMBL2646698 0.85 AKR1C3 (0.71) AKR1C3AKR1C2MEN1KMT2AMYC
SCHEMBL2112961 0.85 AKR1C3 (0.67) AKR1C3AKR1C2MEN1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183000-B1 2, 4-dinitroanilino-benzoic acid: novel insulinotropic agent for the treatment of diabetes JAHAN HUMERA (PK) 2019-01-22 US claimed
US-9381182-B2 Anthranilic acid derivatives: novel inhibitors of advanced glycation end-products (AGEs) formation CHOUDHARY MUHAMMAD IQBAL (PK) 2016-07-05 US claimed
US-10183000-B1 2, 4-dinitroanilino-benzoic acid: novel insulinotropic agent for the treatment of diabetes JAHAN HUMERA (PK) 2019-01-22 US disclosed
US-10183000-B1 2, 4-dinitroanilino-benzoic acid: novel insulinotropic agent for the treatment of diabetes JAHAN HUMERA (PK) 2019-01-22 US disclosed
US-9312497-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-12 US disclosed
US-20150051286-A1 ANTHRANILIC ACID DERIVATIVES: NOVEL INHIBITORS OF ADVANCED GLYCATION END-PRODUCTS (AGES) FORMATION CHOUDHARY MUHAMMAD IQBAL (PK) 2015-02-19 US disclosed
US-20150051286-A1 ANTHRANILIC ACID DERIVATIVES: NOVEL INHIBITORS OF ADVANCED GLYCATION END-PRODUCTS (AGES) FORMATION CHOUDHARY MUHAMMAD IQBAL (PK) 2015-02-19 US disclosed
US-20120135864-A1 POLLINATION IMPROVER TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-31 US disclosed
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-03 US disclosed
US-20120088667-A1 SAFENING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-12 US disclosed
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
CN-1038840-C para-dinitrogen naphthalene derivative, its preparation method and its medical use SCHERING AG (DE) 1998-06-24 CN disclosed
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed
CN-1072929-A Para-dinitronaphthalene derivative, preparation method and medical application thereof SCHERING AG (DE) 1993-06-09 CN disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 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 (4 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-20150051286-A1 ANTHRANILIC ACID DERIVATIVES: NOVEL INHIBITORS OF ADVANCED GLYCATION END-PRODUCTS (AGES) FORMATION AGER, NFKBIA, DNPEP AKR1C3 978/4885AKR1C2 734/4885MEN1 3683/4885
US-20120088667-A1 SAFENING AGENT PIN1, IPO11, XPO1 AKR1C3 783/4885AKR1C2 1055/4885MEN1 1807/4885
US-20120135864-A1 POLLINATION IMPROVER AADAT, TIPARP, GSR AKR1C3 62/4885AKR1C2 159/4885MEN1 3460/4885
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE MYB, ING2, AGXT AKR1C3 1005/4885AKR1C2 537/4885MEN1 4545/4885

“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.