SCHEMBL4587579

SCHEMBL4587579

NC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
EPHX1 P07099 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.52
IDO1 P14902 2/20 0.51
CHRM2 P08172 1/20 0.51
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
MEN1 O00255 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KMT2A Q03164 1/20 0.51
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4587574 0.86 CA2 (0.55) CA2CYP2C9CYP2C19EPHX1LOXL2
SCHEMBL6562494 0.84 MEN1 (0.57) CA2EPHX1LOXL2L3MBTL1TSHR
SCHEMBL1521016 0.84 PTPRF (0.57) CA2CYP2C9CYP2C19EPHX1LOXL2
SCHEMBL27968659 0.84 L3MBTL1 (0.57) CA2CYP2C9CYP2C19EPHX1LOXL2
SCHEMBL1804701 0.82 NPC1 (0.58) CA2EPHX1L3MBTL1CHRM2PTPRF
Hydrochloric Acid SCHEMBL28761688 0.81 IDO1 (0.51) CA2LOXL2TSHRIDO1CHRM2
SCHEMBL4808309 0.80 PTPN1 (0.61) CYP2C9CYP2C19TSHRPTPN1MEN1
SCHEMBL31011681 0.80 MEN1 (0.68) CA2EPHX1TSHRCHRM2PTPRF
SCHEMBL14861111 0.79 GAA (0.58) CA2CYP2C9CYP2C19EPHX1L3MBTL1
SCHEMBL3999174 0.79 APOBEC3A (0.58) CA2CYP2C9CYP2C19EPHX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101161645-B Urea derivatives as well as preparation method and uses thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-06-23 CN claimed
CN-101161645-B Urea derivatives as well as preparation method and uses thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-06-23 CN disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 WO disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7361661-B2 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors NOVARTIS AG (CH) 2008-04-22 US disclosed
CN-101161645-A Urea derivatives as well as preparation method and uses thereof NANJING UNIVERSITY OF TECHNOLOGY (CN) 2008-04-16 CN disclosed
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
WO-2001077110-A1 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS NOVARTIS AG (CH) 2001-10-18 WO disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 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-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 CA2 3058/4885CYP2C9 2424/4885CYP2C19 2592/4885
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 CA2 2710/4885CYP2C9 803/4885CYP2C19 562/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CA2 2886/4885CYP2C9 2004/4885CYP2C19 1048/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CA2 3996/4885CYP2C9 2891/4885CYP2C19 804/4885

“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.