SCHEMBL6228359

SCHEMBL6228359

O=C(Nc1ccc(Br)cc1)c1[c]ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ADORA3 P0DMS8 2/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TP53 P04637 2/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
DEGS1 O15121 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL6228430 0.79 FKBP5 (0.53) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL9106594 0.76 PLK1 (0.54) NPC1RAB9A
SCHEMBL7976244 0.76 GAA (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6232375 0.76 NPC1 (0.55) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL7583446 0.75 KMT2A (0.50) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL7240252 0.72 NPC1 (0.51) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL20507043 0.72 CYP1A2 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2517773 0.72 NR4A1 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7578629 0.72 RAB9A (0.54) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12275191 0.71 NPC1 (0.54) NPC1RAB9AADORA3MEN1KMT2A

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 NPC1 6/4885RAB9A 2138/4885ADORA3 430/4885

“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.