SCHEMBL7298052

SCHEMBL7298052

COc1ccc(CSc2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
HDAC3 O15379 1/20 0.52
NCOR1 O75376 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
APP P05067 1/20 0.50
IDO1 P14902 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL16242598 0.85 POLB (0.87) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL12603762 0.83 RAB9A (0.51) APPIDO1NPC1RAB9AMEN1
SCHEMBL16536466 0.82 POLB (0.47) POLBHDAC3NCOR1HDAC1HDAC2
SCHEMBL31011604 0.81 APP (0.49) APPIDO1NPC1RAB9AMEN1
SCHEMBL8378911 0.80 POLB (0.71) POLBHDAC3NCOR1HDAC1HDAC2
SCHEMBL5970893 0.80 APP (0.47) POLBAPPIDO1NPC1RAB9A
SCHEMBL13457191 0.80 CYP1A2 (0.45) POLBHDAC3NCOR1HDAC1HDAC2
SCHEMBL7291905 0.80 CYP1A2 (0.45) APPIDO1NPC1RAB9AMEN1
SCHEMBL10687383 0.80 APP (0.58) APPIDO1NPC1RAB9AMEN1
SCHEMBL3896275 0.79 POLB (1.00) POLBIDO1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US disclosed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
US-8501238-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-8501238-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-8415351-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
US-8415351-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-8188104-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188104-B2 Anti-infective agents and uses thereof ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2203431-B1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LAB (US) 2011-08-10 EP disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
EP-0903341-A1 \"Novel ortho-mercaptoaniline compounds\ Akzo Nobel N.V. (NL) 1999-03-24 EP disclosed
US-5690904-A BRAIN IMAGING AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1997-11-25 US disclosed
EP-0453658-A2 Use of substituted anilides and sulfonamides in the treatment of cardiovascular diseases E.R. SQUIBB & SONS, INC. (US) 1991-10-30 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 (4 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE POLB 321/4885HDAC3 1993/4885NCOR1 3584/4885
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE POLB 321/4885HDAC3 1993/4885NCOR1 3584/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE POLB 321/4885HDAC3 1993/4885NCOR1 3584/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE POLB 321/4885HDAC3 1993/4885NCOR1 3584/4885

“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.