SCHEMBL10173295

SCHEMBL10173295

COc1ccc(-c2nc(CBr)sc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 1/20 0.62
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL10271769 0.86 ALDH1A1 (0.64) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL202242 0.84 ALDH1A1 (0.46) ALDH1A1HPGDMAPTPTGS2KDM4E
SCHEMBL201447 0.79 PTGS2 (0.47) ALDH1A1MAPTSMN1; SMN2PTGS2KDM4E
SCHEMBL2756230 0.79 PTGDR2 (0.44) ALDH1A1HPGDMAPTPTGS2KDM4E
SCHEMBL8202114 0.78 ALDH1A1 (0.96) ALDH1A1HPGDMAPTSMN1; SMN2PTGS2
SCHEMBL5526707 0.76 PPARD (0.63)
SCHEMBL558439 0.76 ALDH1A1 (0.68) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL10219932 0.73 ALDH1A1 (0.64) ALDH1A1HPGDMAPTSMN1; SMN2PTGS2
SCHEMBL25729417 0.72 ALDH1A1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2PTGS2
SCHEMBL2542170 0.71 KDM4E (0.58) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ALDH1A1 787/4885HPGD 4263/4885MAPT 4688/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885HPGD 3468/4885MAPT 4784/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 ALDH1A1 740/4885HPGD 3902/4885MAPT 4744/4885

“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.