SCHEMBL13777953

SCHEMBL13777953

Clc1ccc(CNc2nc(-c3ccc(CCN4CCCC4)cc3)nc3ccsc23)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
EPHX2 P34913 2/20 0.41
PRKCI P41743 3/20 0.41
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
PIK3CA P42336 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2C P28335 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
SCHEMBL4216902 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPRKCI
SCHEMBL4207257 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPRKCI
SCHEMBL13778093 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL4217623 0.76 PIK3CA (0.39) PDE4APDE4BPDE4CPDE4DPRKCI
SCHEMBL4208839 0.74 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4204698 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL13780258 0.71 HTR2C (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4211641 0.69 HRH4 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL4864466 0.65 PDE5A (0.77) ALDH1A1POLB
Hydrochloric Acid SCHEMBL9514659 0.64 SIGMAR1 (0.64) KDM4EALDH1A1POLBTDP1SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP 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 (1 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-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 PDE4A 1244/4885PDE4B 940/4885PDE4C 1856/4885

“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.