SCHEMBL6228552

SCHEMBL6228552

Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 1.00
MAOA P21397 7/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
ADORA3 P0DMS8 1/20 1.00
F12 P00748 4/20 0.81
MAPT P10636 2/20 0.71
POLB P06746 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
PKM P14618 1/20 0.70
TSHR P16473 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70

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
SCHEMBL831792 0.86 MAOB (1.00) MAOBMAOANPC1RAB9AADORA3
SCHEMBL11462954 0.85 MAOB (0.91) MAOBMAOANPC1RAB9AADORA3
SCHEMBL12010949 0.82 MAOB (1.00) MAOBMAOANPC1RAB9AADORA3
SCHEMBL10085118 0.82 MAOB (0.74) MAOBMAOANPC1RAB9AADORA3
SCHEMBL4969156 0.81 MAOB (0.76) MAOBMAOANPC1RAB9AADORA3
SCHEMBL4972712 0.80 MAOB (1.00) MAOBMAOAF12
SCHEMBL4973104 0.79 MAOB (1.00) MAOBMAOANPC1RAB9AADORA3
SCHEMBL14476486 0.79 MAPK1 (1.00) MAOBMAOANPC1F12LMNA
SCHEMBL6228344 0.79 MAOB (1.00) MAOBMAOANPC1RAB9AF12
SCHEMBL13936231 0.79 MAOB (1.00) MAOBMAOANPC1RAB9AF12

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 WO 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 MAOB 3375/4885MAOA 3044/4885NPC1 6/4885

“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.