SCHEMBL8996846

SCHEMBL8996846

COc1ccc(CSc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 4/20 0.51
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALPG P10696 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
DCTPP1 Q9H773 1/20 0.44

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
SCHEMBL5376331 0.83 MEN1 (0.65) SMN1; SMN2KMT2AHPGDALDH1A1LMNA
SCHEMBL29449332 0.82 GSTP1 (0.47) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL7002851 0.81 KMT2A (0.50) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL5795803 0.81 KMT2A (0.71) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL13457196 0.81 ALDH1A1 (0.43) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL9833015 0.79 HPGD (0.48) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL15616677 0.79 ALDH1A1 (0.51) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL8349572 0.79 ALDH1A1 (0.44) SMN1; SMN2KMT2ANPC1RAB9AHPGD
SCHEMBL6901685 0.78 MEN1 (0.49) SMN1; SMN2KMT2AHPGDALDH1A1LMNA
SCHEMBL28070730 0.78 ALDH1A1 (0.58) SMN1; SMN2KMT2ANPC1RAB9AHPGD

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 23 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-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 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-20140235638-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC. (US) 2014-08-21 US disclosed
US-20140235638-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC. (US) 2014-08-21 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-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-08-23 US disclosed
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-08-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 SMN1; SMN2 4700/4885KMT2A 4704/4885NPC1 188/4885
US-20120213733-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE SMN1; SMN2 4700/4885KMT2A 4704/4885NPC1 188/4885
US-20120244119-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE SMN1; SMN2 4700/4885KMT2A 4704/4885NPC1 188/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE SMN1; SMN2 4700/4885KMT2A 4704/4885NPC1 188/4885
US-20140235638-A1 Anti-Infective Agents and Uses Thereof MPO, ELANE, LPO SMN1; SMN2 4666/4885KMT2A 4715/4885NPC1 188/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE SMN1; SMN2 4700/4885KMT2A 4704/4885NPC1 188/4885

“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.