SCHEMBL5468876

SCHEMBL5468876

O=C(Nc1c[c]ccc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NAMPT P43490 2/20 0.52
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49

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
SCHEMBL2888312 0.86 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HTTABL1
SCHEMBL26985985 0.83 MAPT (0.58) TRPV1NPC1RAB9ALMNAMEN1
SCHEMBL4517770 0.83 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5465598 0.82 RAB9A (0.64) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL28488053 0.80 MEN1 (0.63) NPC1RAB9AMEN1KMT2A
SCHEMBL5468404 0.78 NQO2 (0.54) NPC1RAB9ALMNAHDAC2HDAC8
SCHEMBL750529 0.78 KCNK3 (0.59) NPC1RAB9ASMN1; SMN2NAMPTHDAC2
SCHEMBL5468529 0.77 TRPV1 (0.54) TRPV1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8564588 0.77 KCNK9 (0.60) TRPV1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2562031 0.77 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2NAMPT

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 3489/4885NPC1 3368/4885RAB9A 3765/4885

“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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