SCHEMBL3398935

SCHEMBL3398935

COc1cc(F)c(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
CPS1 P31327 2/20 0.39
PARP1 P09874 1/20 0.39
CNR1 P21554 1/20 0.39
HTR2C P28335 5/20 0.38
ACVR1 Q04771 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CFTR P13569 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3398946 0.84 PKM (0.48) HTR2CMAPTLMNAKDM4EALDH1A1
SCHEMBL3402229 0.83 HTR2C (0.43) HRH3PARP1CNR1HTR2CACVR1
SCHEMBL3401468 0.83 PKM (0.49) HTR2CMAPTLMNAKDM4EALDH1A1
SCHEMBL3402656 0.83 HTR2C (0.48) HRH3PARP1CNR1HTR2CSLC6A2
SCHEMBL3402351 0.82 CNR1 (0.45) HRH3CNR1HTR2CACVR1SLC6A2
SCHEMBL13310182 0.81 LMNA (0.42) HRH3HTR2CLMNAKDM4EALDH1A1
SCHEMBL3404788 0.81 HTR2C (0.39) HRH3CPS1CNR1HTR2CLMNA
SCHEMBL3401691 0.80 HTR2C (0.45) HRH3CNR1HTR2CACVR1SLC6A2
SCHEMBL3404035 0.80 HTR2C (0.50) HRH3PARP1CNR1HTR2CMAPT
SCHEMBL3403060 0.80 LMNA (0.40) HRH3CPS1PARP1HTR2CMAPT

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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 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 (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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HRH3 1/4885CPS1 827/4885PARP1 4836/4885

“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.