SCHEMBL4305643

SCHEMBL4305643

O=C(Nc1cccc2c1C(=O)N(CC1CO1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 10/20 0.42
ACHE P22303 1/20 0.41
STK33 Q9BYT3 1/20 0.41
MAPT P10636 1/20 0.38
RPS6KA2 Q15349 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4311995 0.83 ACHE (0.43) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL6404923 0.83 ACHE (0.43) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL5784441 0.83 ACHE (0.43) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL4303219 0.82 HPGD (0.46) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL6404900 0.81 ACHE (0.43) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL4314316 0.81 ACHE (0.45) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL13950025 0.81 ALDH1A1 (0.47) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL3377540 0.80 HDAC1 (0.45) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL5781838 0.80 HDAC1 (0.47) HPGDALDH1A1SMN1; SMN2F10ACHE
SCHEMBL6404904 0.79 ACHE (0.42) HPGDALDH1A1SMN1; SMN2F10ACHE

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 13 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
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 HPGD 195/4885ALDH1A1 346/4885SMN1; SMN2 1980/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 HPGD 433/4885ALDH1A1 166/4885SMN1; SMN2 2271/4885

“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.