SCHEMBL1815008

SCHEMBL1815008

O=C(CCc1ccccc1)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.77
RAB9A P51151 2/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
ALDH1A1 P00352 1/20 0.77
ADAMTS5 Q9UNA0 12/20 0.72
NPC1 O15118 1/20 0.71
KDM1A O60341 1/20 0.65
KDM4E B2RXH2 3/20 0.65
ALOX12 P18054 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL610665 0.95 ADAMTS5 (0.74) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL609432 0.93 HSP90AA1 (0.71) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL608917 0.93 ADAMTS5 (0.78) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL610254 0.91 ADAMTS5 (0.76) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL611157 0.91 ADAMTS5 (0.78) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL610739 0.91 KDM1A (0.70) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL607476 0.90 HSP90AA1 (0.74) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL24634662 0.90 KDM1A (0.79) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30876629 0.90 KDM1A (0.79) HSP90AA1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1814541 0.90 ADAMTS5 (0.78) HSP90AA1RAB9AMEN1KMT2AADAMTS5

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US claimed
US-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 HSP90AA1 101/4885RAB9A 699/4885MEN1 2254/4885

“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.