SCHEMBL13889342

SCHEMBL13889342

COCCOCn1ncc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
MAOA P21397 1/20 0.38
KMO O15229 2/20 0.37
DYRK1A Q13627 1/20 0.37
PTGER4 P35408 2/20 0.35
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
DGAT1 O75907 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL1119861 0.85 DGAT1 (0.47) MAOBHTR2AHTR2CMAOAKMO
SCHEMBL14910174 0.84 MAOB (0.51) MAOBHTR2AHTR2CMAOAKMO
SCHEMBL19124050 0.84 KMO (0.36) MAOBHTR2AHTR2CMAOAKMO
SCHEMBL8227279 0.83 HTR2A (0.41) MAOBHTR2AHTR2CMAOAKMO
SCHEMBL2957492 0.77 HTR2A (0.46) MAOBHTR2AHTR2CKMOEGFR
SCHEMBL14910114 0.77 KMO (0.42) MAOBHTR2AHTR2CMAOAKMO
SCHEMBL30928551 0.76 KMO (0.44) HTR2AHTR2CKMOEGFRHDAC8
SCHEMBL13528 0.76 KMO (0.44) HTR2AHTR2CKMOEGFRHDAC8
SCHEMBL13201432 0.75 HCAR3 (0.46) DYRK1APTGER4NPC1RAB9AMAPT
SCHEMBL29520376 0.75 KMO (0.55) HTR2AHTR2CKMOEGFRHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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 (1 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-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 MAOB 1223/4885HTR2A 4540/4885HTR2C 4653/4885

“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.