SCHEMBL2756231

SCHEMBL2756231

COOCc1sc(C)nc1-c1ccc(OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
PRMT1 Q99873 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2756230 0.82 PTGDR2 (0.44) ALDH1A1HPGDPTGDR2MAPTKDM4E
SCHEMBL8291391 0.77 MEN1 (0.76) ALDH1A1HPGDMEN1KMT2APTGDR2
SCHEMBL11563601 0.76 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8202114 0.76 ALDH1A1 (0.96) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL201690 0.73 ALDH1A1 (0.68) ALDH1A1HPGDMEN1KMT2APTGDR2
SCHEMBL791811 0.73 PTGS2 (0.49) ALDH1A1HPGDMEN1KMT2APTGDR2
SCHEMBL791528 0.73 PTGDR2 (0.61) ALDH1A1HPGDMEN1KMT2APTGDR2
SCHEMBL13675569 0.72 ALOX5 (0.52) ALDH1A1PTGDR2MAPTKDM4EPOLB
SCHEMBL31303791 0.71 PRMT1 (0.79) ALDH1A1HPGDMEN1KMT2APTGDR2
SCHEMBL3825168 0.71 ALDH1A1 (0.64) ALDH1A1HPGDPTGDR2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ALDH1A1 787/4885HPGD 4263/4885MEN1 1037/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ALDH1A1 800/4885HPGD 3468/4885MEN1 678/4885

“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.