SCHEMBL6763532

SCHEMBL6763532

O=C(NCC(O)c1ccccc1)c1[c]cccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 3/20 0.57
TAAR1 Q96RJ0 1/20 0.57
BCAT2 O15382 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
ASAH1 Q13510 1/20 0.46
AOC3 Q16853 3/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SCD O00767 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
SCHEMBL6950034 0.80 KDM4E (0.45) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL4983838 0.80 KMT2A (0.51) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL4083916 0.79 BACE1 (0.38) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL13495002 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL3224949 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL7301446 0.76 MME (0.44) KDM4EMEN1KMT2A
SCHEMBL1900364 0.76 KMT2A (0.54) RAB9ASMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL1520684 0.75 BCAT2 (0.72) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL26906281 0.75 BCAT2 (0.72) NPC1RAB9ASMN1; SMN2KDM4ETAAR1
SCHEMBL97054 0.74 KMT2A (0.43) NPC1KDM4EL3MBTL1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 US disclosed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase GUCY1B1, GUCY1A1, GUCY1A2 NPC1 1740/4885RAB9A 2441/4885SMN1; SMN2 2436/4885

“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.