SCHEMBL6228486

SCHEMBL6228486

CC(C)(C)NC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.66
RAB9A P51151 10/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
ADORA1 P30542 1/20 0.66
DYRK1A Q13627 1/20 0.66
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 3/20 0.65
NFKB1 P19838 3/20 0.65
NFKB2 Q00653 3/20 0.65
RELA Q04206 3/20 0.65
GAA P10253 2/20 0.65
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ACP1 P24666 1/20 0.60
LCK P06239 2/20 0.59
PKM P14618 1/20 0.56
PAX8 Q06710 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL27634788 0.86 NPC1 (0.84) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL32674581 0.86 NPC1 (0.84) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL8534896 0.83 ADORA1 (0.71) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL133638 0.83 ADORA1 (0.71) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL9891526 0.82 ADORA1 (0.69) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL18850998 0.81 DYRK1A (0.69) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL12316872 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL9160858 0.80 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A
SCHEMBL4748969 0.80 LCK (0.69) NPC1RAB9ASMN1; SMN2DYRK1ALCK
SCHEMBL3283083 0.80 DYRK1A (1.00) NPC1RAB9ASMN1; SMN2ADORA1DYRK1A

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 2138/4885SMN1; SMN2 4558/4885

“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.