SCHEMBL2395553

SCHEMBL2395553

O=C(O)[C@H]1CCC[C@@H]1C(=O)c1ccc(-c2ccc(Nc3nc4c(Cl)cccc4s3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
DGAT1 O75907 16/20 0.52
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL2311870 1.00 KMT2A (0.53) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2312162 1.00 KMT2A (0.53) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2309877 0.89 DGAT1 (0.51) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2309730 0.89 DGAT1 (0.51) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL12430012 0.89 DGAT1 (0.51) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2312694 0.89 DGAT1 (0.51) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2306562 0.84 SMN1; SMN2 (0.45) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2308736 0.84 SMN1; SMN2 (0.45) KMT2ADGAT1GAAMEN1ALDH1A1
SCHEMBL2306382 0.84 DGAT1 (0.60) KMT2ADGAT1MEN1ALDH1A1MAPT
SCHEMBL2306376 0.84 DGAT1 (0.60) KMT2ADGAT1MEN1ALDH1A1MAPT

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-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US claimed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US claimed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US claimed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC KMT2A 627/4885DGAT1 34/4885GAA 307/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC KMT2A 627/4885DGAT1 34/4885GAA 307/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC KMT2A 627/4885DGAT1 34/4885GAA 307/4885

“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.