SCHEMBL4305880

SCHEMBL4305880

N#CCN1CCC(N2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
F10 P00742 8/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACKR3 P25106 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
STK33 Q9BYT3 1/20 0.37
MAP1LC3B Q9GZQ8 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL4310810 0.86 ACHE (0.58) ACHEF10ACKR3
SCHEMBL4306487 0.86 ACHE (0.47) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4316646 0.84 ALDH1A1 (0.41) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4303217 0.82 STK33 (0.43) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4307094 0.81 F10 (0.45) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4312090 0.81 KMT2A (0.45) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6220595 0.79 ACHE (0.39) ACHEALDH1A1DDB1CRBNMAP1LC3B
SCHEMBL6216650 0.76 ALDH1A1 (0.38) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6402770 0.76 ACHE (0.40) ACHEF10ALDH1A1HPGDSMN1; SMN2
SCHEMBL5783198 0.76 ACHE (0.40) ACHEF10ALDH1A1HPGDSMN1; 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 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 1206/4885F10 19/4885ALDH1A1 346/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885F10 14/4885ALDH1A1 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.