SCHEMBL4314916

SCHEMBL4314916

O=C(NCCCCN1C(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2C1=O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.45
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STK33 Q9BYT3 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL4309863 0.87 GAA (0.45) F10ACHEALDH1A1GAAMEN1
SCHEMBL4306024 0.87 GAA (0.44) F10ACHEALDH1A1GAAMEN1
SCHEMBL13950089 0.82 ALDH1A1 (0.46) F10ACHEALDH1A1GAAHDAC3
SCHEMBL13950091 0.82 BRD4 (0.43) ACHEALDH1A1GAAHDAC3HDAC1
SCHEMBL13950088 0.81 NAMPT (0.43)
SCHEMBL13950090 0.81 F10 (0.45) F10ACHE
SCHEMBL5803055 0.80 ALDH1A1 (0.46) F10ACHEALDH1A1GAAHDAC3
SCHEMBL13950071 0.79 F10 (0.52) F10ALDH1A1GAAMEN1KMT2A
SCHEMBL5781216 0.79 ALDH1A1 (0.44) F10ACHEALDH1A1GAAMEN1
SCHEMBL4309248 0.79 F10 (0.46) F10ACHEALDH1A1STK33

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 11 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-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
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-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 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-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 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

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 F10 19/4885ACHE 1206/4885ALDH1A1 346/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 F10 14/4885ACHE 1270/4885ALDH1A1 166/4885

“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.