SCHEMBL4307569

SCHEMBL4307569

Cc1cccc(N2CCN(CC(O)CN3C(=O)c4cccc(NC(=O)c5ccc(Cl)s5)c4C3=O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MAPK1 P28482 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F10 P00742 3/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
TP53 P04637 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4302294 0.92 MAPT (0.42) MAPTF10DRD2HTR7ALDH1A1
SCHEMBL4306493 0.90 F10 (0.43) MAPTMAPK1NPSR1F10ADRA1D
SCHEMBL4307192 0.89 MAPT (0.43) MAPTMAPK1MEN1KMT2AADRA1D
SCHEMBL4302265 0.88 F10 (0.44) MAPTF10DRD2HTR7ALDH1A1
SCHEMBL4306503 0.88 F10 (0.42) MAPTMAPK1F10ADRA1DADRA1A
SCHEMBL4309841 0.88 RPS6KA2 (0.44) MAPTMAPK1MEN1KMT2AF10
SCHEMBL4309292 0.86 F10 (0.39) MAPK1MEN1KMT2AF10DRD2
SCHEMBL4310904 0.85 L3MBTL1 (0.45) MAPTMAPK1MEN1KMT2ANPSR1
SCHEMBL13950037 0.85 HTT (0.48) MAPTMEN1KMT2AF10HTT
SCHEMBL4309891 0.84 ACHE (0.39) MAPTNPSR1F10ALDH1A1HPGD

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 MAPT 3401/4885MAPK1 4415/4885NLRP3 4526/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 MAPT 4070/4885MAPK1 4524/4885NLRP3 4674/4885

“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.