SCHEMBL4311995

SCHEMBL4311995

O=C(Nc1cccc2c1C(=O)N(CC1CCNCC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
STK33 Q9BYT3 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 3/20 0.40
CHRM1 P11229 5/20 0.39
CHRM2 P08172 3/20 0.39
CHRM3 P20309 3/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HDAC2 Q92769 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RPS6KA2 Q15349 2/20 0.36
PARP1 P09874 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 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
SCHEMBL4305977 0.91 ACHE (0.54) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL6404923 0.89 ACHE (0.43) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL5784441 0.89 ACHE (0.43) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL6404900 0.86 ACHE (0.43) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL6406958 0.84 ACHE (0.42) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL6404904 0.84 ACHE (0.42) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL6401407 0.84 ACHE (0.40) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL5784224 0.84 ACHE (0.40) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL4306487 0.84 ACHE (0.47) ACHESTK33HPGDALDH1A1SMN1; SMN2
SCHEMBL4305643 0.83 HPGD (0.42) ACHESTK33HPGDALDH1A1SMN1; 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 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 ACHE 1206/4885STK33 2146/4885HPGD 195/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885STK33 3246/4885HPGD 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.