SCHEMBL4923944

SCHEMBL4923944

O=[N+]([O-])c1cc(-c2nnn[nH]2)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
MAPT P10636 7/20 0.44
LMNA P02545 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
XDH P47989 1/20 0.37
TSHR P16473 2/20 0.36
VCAM1 P19320 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP3A4 P08684 2/20 0.35
AHR P35869 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL3164611 0.83 MAPT (0.57) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL29703894 0.83 MAPT (0.57) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL264644 0.82 XDH (0.51) MAPTLMNAMEN1KMT2AXDH
SCHEMBL25410350 0.81 LMNA (0.36) CYP19A1MAPTLMNAMEN1KMT2A
SCHEMBL2738746 0.75 CYP3A4 (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5311953 0.74 MAPT (0.60) MAPTLMNAMEN1KMT2AXDH
SCHEMBL7370507 0.74 TTR (0.46) MAPTMEN1KMT2AXDHALDH1A1
SCHEMBL12497469 0.73 ALDH1A1 (0.43) MAPTLMNAMEN1KMT2AXDH
SCHEMBL31377032 0.72 KDM4E (0.49) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL7207777 0.72 TDP1 (0.45) MAPTLMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300418-A1 Synthesis of Cardiolipin Analogues and Uses Thereof AHMAD MOGHIS U 2008-12-04 US claimed
EP-1996947-A1 METHOD FOR FORMING MOLECULAR SEQUENCES ON SURFACES The Regents of the University of Michigan (US) 2008-12-03 EP claimed
WO-2008118167-A1 METHOD FOR FORMING MOLECULAR SEQUENCES ON SURFACES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-02 WO claimed
US-20070224616-A1 METHOD FOR FORMING MOLECULAR SEQUENCES ON SURFACES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-09-27 US claimed
EP-1819715-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF Neopharm, Inc. (US) 2007-08-22 EP claimed
WO-2006052906-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF NEOPHARM, INC. (US) 2006-05-18 WO claimed
US-20050266068-A1 Cardiolipin molecules and methods of synthesis NEOPHARM, INC. (US) 2005-12-01 US claimed
EP-1556392-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS Neopharm, Inc. (US) 2005-07-27 EP claimed
WO-2004039817-A9 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM INC (US) 2004-07-22 WO claimed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 WO claimed
WO-2016091228-A1 SUBSTITUTED PHENYLTETRAZOLE, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-16 WO disclosed
WO-2016091228-A1 SUBSTITUTED PHENYLTETRAZOLE, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-16 WO disclosed
US-20080300418-A1 Synthesis of Cardiolipin Analogues and Uses Thereof AHMAD MOGHIS U 2008-12-04 US disclosed
EP-1996947-A1 METHOD FOR FORMING MOLECULAR SEQUENCES ON SURFACES The Regents of the University of Michigan (US) 2008-12-03 EP disclosed
WO-2008118167-A1 METHOD FOR FORMING MOLECULAR SEQUENCES ON SURFACES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-02 WO disclosed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 WO disclosed
EP-0739898-B1 Phosphonomonoester nucleic acids, methods for their preparation and their use AVENTIS PHARMA GMBH (DE) 2001-09-26 EP disclosed
US-6127346-A FOR THE TREATMENT OF VIRUSES HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-5874553-A ANTIBODIES; INHIBITOR OF GENE EXPRESSION HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
EP-0739898-A2 Phosphonomonoester nucleic acids, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP 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 (2 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-20050266068-A1 Cardiolipin molecules and methods of synthesis PHOSPHO1, MGLL, LIPA CYP19A1 3639/4885MAPT 4872/4885LMNA 1174/4885
US-20080300418-A1 Synthesis of Cardiolipin Analogues and Uses Thereof PHOSPHO1, SGMS1, SGMS2 CYP19A1 3823/4885MAPT 4791/4885LMNA 264/4885

“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.