SCHEMBL10352124

SCHEMBL10352124

CCCCc1cccc(CCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAOB P27338 5/20 0.51
CYP1B1 Q16678 1/20 0.51
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ALDH1A1 P00352 1/20 0.49
ALDH2 P05091 1/20 0.49
PKM P14618 1/20 0.49
ALDH3A1 P30838 1/20 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
SCHEMBL6283135 0.89 TDP1 (0.66) TDP1L3MBTL1ALDH1A1ALDH2PKM
SCHEMBL614087 0.85 TDP1 (0.48) TDP1L3MBTL1MAOBCYP1B1BCHE
SCHEMBL14044517 0.85 TDP1 (0.60) TDP1L3MBTL1MAOBCYP1B1ALDH1A1
SCHEMBL6285932 0.84 TDP1 (0.69) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL2202509 0.84 RAB9A (0.57) TDP1L3MBTL1ALDH1A1
SCHEMBL6283360 0.83 TDP1 (0.71) TDP1L3MBTL1
SCHEMBL10237575 0.83 TDP1 (0.51) TDP1L3MBTL1MAOBCYP1B1ALDH1A1
SCHEMBL30371663 0.82 TDP1 (0.86) TDP1L3MBTL1MAOBCYP1B1ACHE
SCHEMBL45050 0.82 TDP1 (0.86) TDP1L3MBTL1MAOBCYP1B1ACHE
SCHEMBL2754682 0.82 CYP1B1 (0.61) TDP1L3MBTL1CYP1B1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 TDP1 4071/4885L3MBTL1 2082/4885MAOB 1796/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 TDP1 4112/4885L3MBTL1 2071/4885MAOB 1833/4885

“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.