SCHEMBL13132544

SCHEMBL13132544

CCC#Cc1cccc(NC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 8/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MITF O75030 2/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HPSE Q9Y251 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CBS P35520 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HAO1 Q9UJM8 1/20 0.43

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
SCHEMBL13168717 0.91 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132557 0.88 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132553 0.86 MAPT (0.48) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132548 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132571 0.85 PTPN11 (0.61) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132713 0.83 MAPT (0.48) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132700 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132717 0.82 PTPN11 (0.61) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132578 0.82 CA12 (0.47) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL13132560 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MITFPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 — — US 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B NPC1 1210/4885RAB9A 2181/4885SMN1; SMN2 2933/4885

“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.

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