SCHEMBL4308722

SCHEMBL4308722

O=C(Nc1cccc2c1CN(CCC1CCNCC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.57
ITGB3 P05106 12/20 0.42
ITGA2B P08514 12/20 0.42
ITGA2 P17301 3/20 0.42
STK33 Q9BYT3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ACHE P22303 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
SCHEMBL4303895 0.88 F10 (0.56) F10STK33ALDH1A1HPGDSMN1; SMN2
SCHEMBL4309505 0.86 PARP1 (0.44) F10ITGB3ITGA2BITGA2ALDH1A1
SCHEMBL13950028 0.83 F10 (0.52) F10KDM4E
SCHEMBL4314194 0.83 F10 (0.55) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4313283 0.83 F10 (0.53) F10STK33ALDH1A1HPGDSMN1; SMN2
SCHEMBL4305977 0.83 ACHE (0.54) F10STK33ALDH1A1HPGDSMN1; SMN2
SCHEMBL13970574 0.83 F10 (0.51) F10ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5784301 0.80 F10 (0.55) F10STK33ALDH1A1HPGDSMN1; SMN2
SCHEMBL13950127 0.79 F10 (0.52) F10STK33ALDH1A1HPGDSMN1; SMN2
SCHEMBL6214821 0.79 ITGB3 (0.40) F10ITGB3ITGA2BITGA2CHRM1

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 F10 19/4885ITGB3 767/4885ITGA2B 513/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 F10 14/4885ITGB3 662/4885ITGA2B 424/4885

“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.