SCHEMBL4567005

SCHEMBL4567005

Cc1ccc(-c2nc(CBr)sc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
ALDH1A1 P00352 6/20 0.40
GAA P10253 3/20 0.40
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 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
SCHEMBL28491512 0.86 MYC (0.36) MAPTSMN1; SMN2NPSR1KDM4ELMNA
SCHEMBL2705650 0.83 PTGDR2 (0.40) MAPTNPSR1KDM4ELMNAALDH1A1
SCHEMBL202242 0.82 ALDH1A1 (0.46) MAPTNPSR1KDM4ELMNAALDH1A1
SCHEMBL16709306 0.80 MAPT (0.36) MAPTSMN1; SMN2MAPK1NPSR1KDM4E
SCHEMBL204230 0.79 GAA (0.36) GAAPTGDR2RAB9A
SCHEMBL14435910 0.76 SMN1; SMN2 (0.41) MAPTSMN1; SMN2MAPK1NPSR1KDM4E
SCHEMBL203342 0.73 ADORA2A (0.36) SMN1; SMN2MAPK1TDP1RAB9A
SCHEMBL2514464 0.71 PTGS2 (0.55) PTGDR2MEN1KMT2A
SCHEMBL203470 0.71 TDP1 (0.44) MAPTSMN1; SMN2MAPK1KDM4ELMNA
SCHEMBL13663151 0.69 KDM4E (0.41) MAPTSMN1; SMN2KDM4ELMNAALDH1A1

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 MAPT 4688/4885SMN1; SMN2 3366/4885MAPK1 226/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MAPT 4784/4885SMN1; SMN2 1208/4885MAPK1 419/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 MAPT 4744/4885SMN1; SMN2 2959/4885MAPK1 322/4885

“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.