SCHEMBL5468529

SCHEMBL5468529

O=C(Nc1c[c]ccc1O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ IGF2BP2 Q9Y6M1 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TLR7 Q9NYK1 3/20 0.45
▸ KCNK2 O95069 1/20 0.45
▸ KCNK10 P57789 1/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL5468726 0.84 NPC1 (0.52) TRPV1LMNANPC1RAB9AHDAC1
SCHEMBL5470445 0.80 NQO2 (0.46) NPC1RAB9AHDAC1HDAC2MEN1
SCHEMBL27935430 0.77 HDAC1 (0.52) SMN1; SMN2LMNANPC1RAB9AHDAC1
SCHEMBL944522 0.77 IGF2BP2 (0.56) TRPV1SMN1; SMN2IGF2BP2NPC1RAB9A
SCHEMBL5468876 0.77 TRPV1 (0.60) TRPV1SMN1; SMN2LMNAMTORNPC1
SCHEMBL27702384 0.77 HDAC1 (0.54) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL14363221 0.76 KCNMA1 (0.67) TRPV1SMN1; SMN2LMNAIGF2BP2NPC1
SCHEMBL5464221 0.75 TOP1 (0.61) HDAC1HDAC2HDAC6
SCHEMBL29047042 0.73 NPC1 (0.66) SMN1; SMN2NPC1RAB9AMEN1HTT
SCHEMBL5368265 0.73 MEN1 (0.62) TRPV1SMN1; SMN2NPC1RAB9AKCNK2

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 TRPV1 3489/4885SMN1; SMN2 2862/4885LMNA 1135/4885

“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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