SCHEMBL4304697

SCHEMBL4304697

O=C(Nc1cccc2c1C(=O)N(CC(=O)N1CCC(CO)CC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 1/20 0.41
F10 P00742 8/20 0.40
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
F2 P00734 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.37
STK33 Q9BYT3 1/20 0.37
GAA P10253 2/20 0.36
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL4308690 0.88 STK33 (0.40) ACHEALDH1A1KDM4EMAPTF10
SCHEMBL13950054 0.85 F10 (0.54) ACHEALDH1A1KDM4EF10HPGD
SCHEMBL13950127 0.83 F10 (0.52) ALDH1A1F10HPGDSMN1; SMN2F2
SCHEMBL13950126 0.83 NR1I2 (0.41) ALDH1A1F10HPGDSMN1; SMN2F2
SCHEMBL13950124 0.83 ALDH1A1 (0.39) ALDH1A1F10HPGDSMN1; SMN2F2
SCHEMBL13950125 0.83 F10 (0.39) ALDH1A1F10HPGDSMN1; SMN2F2
SCHEMBL13950057 0.83 ALDH1A1 (0.48) ACHEALDH1A1KDM4EMAPTF10
SCHEMBL4305991 0.82 KMT2A (0.47) ALDH1A1KDM4EMAPTF10HPGD
SCHEMBL13950040 0.82 KDM4E (0.51) ALDH1A1KDM4EMAPTF10HPGD
SCHEMBL13950059 0.82 F10 (0.41) ACHEALDH1A1KDM4EMAPTF10

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 ACHE 1206/4885ALDH1A1 346/4885KDM4E 4183/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885ALDH1A1 166/4885KDM4E 2699/4885

“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.