SCHEMBL4309891

SCHEMBL4309891

O=C(Nc1cccc2c1C(=O)N(CC(O)CN1CCNCC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
STK33 Q9BYT3 1/20 0.39
F10 P00742 6/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ACKR3 P25106 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
RAD52 P43351 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL4302294 0.87 MAPT (0.42) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL4306493 0.86 F10 (0.43) ACHEF10HPGDSMN1; SMN2MAPT
SCHEMBL4309292 0.86 F10 (0.39) ACHESTK33F10ALDH1A1KDM4E
SCHEMBL4303770 0.85 ACHE (0.41) ACHESTK33F10HPGDALDH1A1
SCHEMBL4306503 0.85 F10 (0.42) F10MAPTKDM4ELMNA
SCHEMBL4303226 0.85 ACKR3 (0.40) ACHESTK33F10ALDH1A1SMN1; SMN2
SCHEMBL4302265 0.85 F10 (0.44) ACHESTK33F10HPGDALDH1A1
SCHEMBL4310904 0.85 L3MBTL1 (0.45) HPGDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4306062 0.84 HTR2A (0.42) ALDH1A1KDM4E
SCHEMBL4307569 0.84 MAPT (0.43) ACHEF10HPGDALDH1A1SMN1; 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 4 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
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 2146/4885F10 19/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885STK33 3246/4885F10 14/4885

“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.