SCHEMBL13201432

SCHEMBL13201432

COCCOCn1nnc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.46
PTGER4 P35408 1/20 0.37
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
RAB9A P51151 2/20 0.36
PTK2 Q05397 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
DYRK1A Q13627 1/20 0.34
AR P10275 1/20 0.34
NPC1 O15118 1/20 0.34
KDM1A O60341 1/20 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
SCHEMBL3782203 0.85 DGAT1 (0.42) HCAR3MGAMAMY1AGAASI
SCHEMBL23119752 0.84 HCAR3 (0.63) HCAR3PTGER4RAB9APOLBDYRK1A
SCHEMBL8237029 0.83 HCAR3 (0.46) HCAR3RAB9APTK2MAPTNPC1
SCHEMBL23119707 0.76 HCAR3 (0.58) HCAR3MGAMAMY1AGAASI
SCHEMBL13889342 0.75 MAOB (0.38) PTGER4RAB9AMAPTDYRK1ANPC1
SCHEMBL26645068 0.74 DGAT1 (0.42) MGAMAMY1AGAASIMGAM2
SCHEMBL31473688 0.72 HCAR3 (0.52) HCAR3PTGER4RAB9APOLBNPC1
SCHEMBL20529672 0.72 HCAR3 (0.52) HCAR3PTGER4RAB9APOLBNPC1
SCHEMBL13180441 0.72 MAPT (0.44) PTGER4MAPTDYRK1A
SCHEMBL25339436 0.71 PTK2 (0.50) HCAR3MGAMAMY1AGAASI

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-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
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 (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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 HCAR3 746/4885PTGER4 739/4885MGAM 634/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 HCAR3 746/4885PTGER4 739/4885MGAM 634/4885

“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.