SCHEMBL4307137

SCHEMBL4307137

CC(C)(C)N(CCCCCCN1C(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2C1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.45
ACHE P22303 7/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
RPS6KA2 Q15349 2/20 0.37
MAOB P27338 2/20 0.36
F10 P00742 1/20 0.36
STK33 Q9BYT3 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL6218284 0.99 GAA (0.47) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL4306024 0.82 GAA (0.44) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL13950089 0.82 ALDH1A1 (0.46) GAAALDH1A1ACHEHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4305915 0.82 ACHE (0.42) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL5779487 0.82 F10 (0.45) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL4309863 0.81 GAA (0.45) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL5780391 0.81 ACHE (0.42) GAAALDH1A1ACHEHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4307259 0.81 ACHE (0.42) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL4314316 0.80 ACHE (0.45) GAAALDH1A1ACHEHPGDSMN1; SMN2
SCHEMBL13950091 0.80 BRD4 (0.43) GAAALDH1A1ACHEHPGDSMN1; SMN2

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 7 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
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 US disclosed
EP-1414817-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003011858-A1 SUBSTITUTED ISOINDOLES AND E USE THEREOF BAYER HEALTHCARE AG (DE) 2003-02-13 WO 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 346/4885ACHE 1206/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 GAA 1835/4885ALDH1A1 166/4885ACHE 1270/4885

“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.