SCHEMBL13132571

SCHEMBL13132571

O=C(Nc1cccc(C#Cc2ccccc2)c1)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.61
▸ NPC1 O15118 7/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ PKM P14618 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HPSE Q9Y251 1/20 0.51
▸ CBS P35520 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MITF O75030 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ PAX8 Q06710 1/20 0.48

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
SCHEMBL13132717 0.97 PTPN11 (0.61) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132548 0.89 NPC1 (0.50) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132577 0.86 NPC1 (0.56) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132564 0.86 KDR (0.49) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132700 0.86 NPC1 (0.50) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132556 0.86 ALDH1A1 (0.54) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132510 0.85 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL13132578 0.85 CA12 (0.47) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132560 0.85 NPC1 (0.47) PTPN11NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13132544 0.85 NPC1 (0.52) PTPN11NPC1RAB9ASMN1; SMN2LMNA

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 PTPN11 4492/4885NPC1 1210/4885RAB9A 2181/4885

“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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