SCHEMBL4309841

SCHEMBL4309841

COc1ccc(N2CCN(CC(O)CN3C(=O)c4cccc(NC(=O)c5ccc(Cl)s5)c4C3=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.44
MAPT P10636 5/20 0.43
F10 P00742 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 5/20 0.41
SLC6A4 P31645 5/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL4306493 0.91 F10 (0.43) MAPTF10HTR2AHTR2CSLC6A4
SCHEMBL4302294 0.91 MAPT (0.42) MAPTF10KDM4EALDH1A1ADRA1B
SCHEMBL4306503 0.90 F10 (0.42) MAPTF10KDM4EHTR2AHTR2C
SCHEMBL4302265 0.88 F10 (0.44) MAPTF10ALDH1A1SMN1; SMN2HTR1A
SCHEMBL4307569 0.88 MAPT (0.43) MAPTF10MEN1KMT2AALDH1A1
SCHEMBL5466430 0.87 HTR1A (0.47) HTR2AHTR2CSLC6A4ADRA1DADRA1A
SCHEMBL4309292 0.84 F10 (0.39) F10MEN1KMT2AKDM4EALDH1A1
SCHEMBL4310904 0.84 L3MBTL1 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4307192 0.84 MAPT (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4309891 0.83 ACHE (0.39) RPS6KA2MAPTF10KDM4EALDH1A1

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 5 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

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 RPS6KA2 898/4885MAPT 3401/4885F10 19/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 RPS6KA2 1898/4885MAPT 4070/4885F10 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.