SCHEMBL13073866

SCHEMBL13073866

O=C(OCCCCNCCc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.65
▸ SIGMAR1 Q99720 6/20 0.56
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50

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
SCHEMBL3821882 0.84 TDP1 (0.79) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL24765208 0.84 TDP1 (0.67) TDP1NPC1RAB9A
SCHEMBL16673090 0.83 TDP1 (0.76) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL6232820 0.83 TDP1 (0.76) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL839075 0.82 TDP1 (0.75) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL8356618 0.82 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3
SCHEMBL29049842 0.81 LMNA (0.63) TDP1ESR1NPC1RAB9AKMT2A
SCHEMBL5547338 0.81 TDP1 (0.62) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL223441 0.80 TDP1 (1.00) TDP1ESR1ESR2KMT2ASLC6A2
SCHEMBL28714878 0.80 TDP1 (0.70) TDP1ESR1ESR2NPC1RAB9A

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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 — — 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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 TDP1 104/4885SIGMAR1 4189/4885ESR1 2618/4885

“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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