SCHEMBL4309863

SCHEMBL4309863

O=C(O)NCCCCN1C(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 1/20 0.42
STK33 Q9BYT3 1/20 0.39
POLB P06746 2/20 0.39
CASP1 P29466 1/20 0.39
F10 P00742 1/20 0.39
RPS6KA2 Q15349 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4306024 0.99 GAA (0.44) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL4314916 0.87 F10 (0.45) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL13950089 0.87 ALDH1A1 (0.46) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL13950091 0.87 BRD4 (0.43) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL4314316 0.85 ACHE (0.45) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL5803055 0.85 ALDH1A1 (0.46) GAAALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4307259 0.84 ACHE (0.42) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL5781216 0.83 ALDH1A1 (0.44) GAAALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4305915 0.83 ACHE (0.42) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL4303219 0.83 HPGD (0.46) GAAALDH1A1HPGDMEN1KMT2A

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-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 GAA 1427/4885ALDH1A1 346/4885HPGD 195/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 GAA 1835/4885ALDH1A1 166/4885HPGD 433/4885

“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.