SCHEMBL6058010

SCHEMBL6058010

O=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 9/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALOX12 P18054 1/20 0.54
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 2/20 0.52
PLA2G4A P47712 1/20 0.52
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
VCAM1 P19320 1/20 0.49
PDE7A Q13946 4/20 0.48
PDE7B Q9NP56 3/20 0.48
THRB P10828 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL5661855 0.86 MAPT (0.72) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6930035 0.86 PLA2G4A (0.69) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18376679 0.86 PDE7A (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL27607595 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6927148 0.82 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6929988 0.81 VCAM1 (0.61) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL12416855 0.78 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6512918 0.78 ALDH5A1 (0.61) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7622086 0.77 ALDH5A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL810343 0.77 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 EP disclosed
US-6638967-B2 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO-MCNEIL PHAMRACEUTICAL, INC. 2003-10-28 US disclosed
EP-1311499-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP disclosed
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-03-28 US disclosed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed
US-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 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 (1 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-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine HRH4, HRH3, HRH2 ALDH1A1 1225/4885MAPT 2357/4885MEN1 3241/4885

“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.