SCHEMBL707776

SCHEMBL707776

CC(=CC=Cc1ccccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 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
SCHEMBL707775 1.00 TDP1 (0.51) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL19043106 0.76 NPC1 (0.50) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL243079 0.76 MAOB (0.52) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL4614234 0.76 MAOB (0.52) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL23458229 0.76 MAOB (0.52) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL710359 0.76 RAB9A (0.53) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL721181 0.74 MEN1 (0.79) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL721182 0.74 MEN1 (0.79) TDP1NPC1RAB9AKMT2AMEN1
Methyl Alcohol SCHEMBL28478479 0.74 NPC1 (0.89) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL27320824 0.73 NPC1 (0.47) TDP1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 — — US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 — — US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 — — US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 — — 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB TDP1 2853/4885NPC1 19/4885RAB9A 4723/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 TDP1 2285/4885NPC1 48/4885RAB9A 4606/4885

“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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