SCHEMBL6232715

SCHEMBL6232715

O=C(NC1=NCCS1)c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 1.00
RAB9A P51151 14/20 0.69
SMN1; SMN2 Q16637 8/20 0.64
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
LMNA P02545 1/20 0.60
TOP1 P11387 1/20 0.57
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL13657955 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11342741 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11345273 0.82 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11351283 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11346555 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6340695 0.79 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14757358 0.79 NPC1 (0.78) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL14757375 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14642683 0.78 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11347416 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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.