SCHEMBL4314756

SCHEMBL4314756

COC1c2cccc(NC(=O)c3ccc(Cl)s3)c2C(=O)N1CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TGFBR1 P36897 4/20 0.39
ACKR3 P25106 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
GPR119 Q8TDV5 8/20 0.38
UTS2R Q9UKP6 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FPR2 P25090 1/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL4309511 0.91 ACHE (0.39) KDM4EACKR3ALDH1A1
SCHEMBL4314889 0.89 KDM4E (0.39) KDM4EPKMTGFBR1ACKR3PTPN2
SCHEMBL6215348 0.84 ACHE (0.36) KDM4EACKR3ALDH1A1
SCHEMBL13950028 0.81 F10 (0.52) KDM4EPKMTGFBR1ACKR3PTPN2
SCHEMBL6216144 0.79 ACHE (0.39) KDM4EACKR3ALDH1A1
SCHEMBL4310755 0.78 L3MBTL1 (0.42) ACKR3PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL13970620 0.75 GPR119 (0.40) KDM4EPKMTGFBR1GPR119ALDH1A1
SCHEMBL13950026 0.74 DTYMK (0.41) ALDH1A1
SCHEMBL4302308 0.73 ACHE (0.56) ALDH1A1
SCHEMBL4304883 0.73 CHRM3 (0.42) ALDH1A1

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 KDM4E 4183/4885PKM 1504/4885TGFBR1 4680/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 KDM4E 2699/4885PKM 1685/4885TGFBR1 4591/4885

“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.