SCHEMBL5326940

SCHEMBL5326940

O=C1C=C2C(=Cc3ccccc32)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
PTPN1 P18031 8/20 0.45
CDC25B P30305 5/20 0.45
PTPRC P08575 5/20 0.45
PTPRF P10586 1/20 0.45
IDO1 P14902 4/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SNCA P37840 2/20 0.44
AKT1 P31749 1/20 0.44
MAP2K1 Q02750 1/20 0.44
PIN1 Q13526 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
NSD1 Q96L73 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
CDC25A P30304 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL9286666 0.88 BACE1 (0.60) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL1708066 0.88 BACE1 (0.60) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL5886591 0.83 ABCG2 (0.39) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL10354666 0.83 ABCG2 (0.39) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL9118090 0.80 ABCG2 (0.38) PTPN1CDC25BPTPRCPTPRFIDO1
SCHEMBL7119051 0.79 CDC25B (0.53) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL8596446 0.76 PTPN1 (0.64) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL2029502 0.75 MAPT (0.38) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL9811026 0.75 PTPRC (0.38) BACE1PTPN1CDC25BPTPRCPTPRF
SCHEMBL9810973 0.75 PTPN1 (0.38) BACE1PTPN1CDC25BPTPRCPTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20070249653-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD BACE1 3583/4885PTPN1 3851/4885CDC25B 1879/4885
US-20040229895-A1 Tetracyclic benzamide derivatives and methods of use thereof TBC1D5, TBC1D15, BAD BACE1 3583/4885PTPN1 3851/4885CDC25B 1879/4885

“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.