SCHEMBL533010

SCHEMBL533010

O=[N+]([O-])c1cccc(N2CCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HPN P05981 1/20 0.56
NPBWR1 P48145 1/20 0.55
LMNA P02545 5/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
SCN2A Q99250 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL20557972 0.98 MAPT (0.64) MAPTKDM4EMEN1KMT2AHPN
SCHEMBL2648360 0.98 MAPT (0.64) MAPTKDM4EMEN1KMT2AHPN
SCHEMBL15272176 0.96 MAPT (0.66) MAPTKDM4EMEN1KMT2AHPN
Acetamide SCHEMBL28114072 0.88 SMN1; SMN2 (0.54) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL2627249 0.88 MAPT (0.69) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL27988326 0.86 MAPT (0.62) MAPTKDM4EMEN1KMT2AHPN
SCHEMBL6360154 0.86 LMNA (0.69) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL2232414 0.86 HTR1A (0.65) MAPTKDM4EMEN1KMT2ANPBWR1
SCHEMBL2376819 0.85 MAPT (0.60) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL2717024 0.85 MAPT (0.66) MAPTKDM4EMEN1KMT2AHPN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
CN-1685014-A Metal complexes as light-absorbing compounds in the information layer of optical data carriers BAYER CHEM LTD (DE) 2005-10-19 CN disclosed
EP-1556445-A2 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS Lanxess Deutschland GmbH (DE) 2005-07-27 EP disclosed
EP-1542982-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-22 EP disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
WO-2004087690-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 US disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed
WO-2004031164-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-04-15 WO disclosed
WO-2004013234-A2 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2004-02-12 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 (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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885MEN1 4698/4885
US-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 MAPT 3026/4885KDM4E 599/4885MEN1 960/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885MEN1 4698/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885MEN1 4698/4885
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MAPT 2351/4885KDM4E 4540/4885MEN1 3986/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885MEN1 4698/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 MAPT 2351/4885KDM4E 4540/4885MEN1 3986/4885

“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.