SCHEMBL4717103

SCHEMBL4717103

O=C(O)C1=NC(=O)C(c2ccccc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2B P41595 1/20 0.43
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 7/20 0.38
EDNRA P25101 2/20 0.37
EDNRB P24530 1/20 0.37
RAB9A P51151 2/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34

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
SCHEMBL6305877 0.70 MAPT (0.46) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL3135177 0.69 CYP1A2 (0.58) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL70993 0.68 LMNA (0.54) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL29370508 0.68 LMNA (0.54) MAPTLMNATP53MAPK1CYP1A2
Benzene SCHEMBL27791155 0.68 LMNA (0.54) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL25171318 0.68 LMNA (0.54) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL1389126 0.67 FGFR1 (0.42) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL4937596 0.66 TP53 (0.59) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL29642916 0.66 TP53 (0.59) MAPTLMNATP53MAPK1CYP1A2
SCHEMBL25028023 0.66 LMNA (0.54) MAPTLMNATP53MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-25 US disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
US-7217709-B2 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-05-15 US disclosed
EP-1603567-A4 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2006-10-18 EP disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence INOTEK PHARMACEUTICAL, CORP. (US) 2006-01-26 US disclosed
EP-1603567-A2 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2005-12-14 EP disclosed
WO-2005009398-A2 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO disclosed
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-11-18 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 (3 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-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence PDE3A, PDE3B, PDE5A MAPT 1261/4885LMNA 1627/4885TP53 4837/4885
US-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD MAPT 3621/4885LMNA 1926/4885TP53 886/4885
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD MAPT 3621/4885LMNA 1926/4885TP53 886/4885

“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.