SCHEMBL3401239

SCHEMBL3401239

CCOC(=O)c1cccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
CNR1 P21554 1/20 0.46
HTR2C P28335 4/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
MAPK1 P28482 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42

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
SCHEMBL3403390 0.89 ALDH1A1 (0.52) CNR1ALDH1A1POLBMEN1KMT2A
SCHEMBL3401828 0.88 HRH3 (0.52) CNR1HTR2CALDH1A1POLBKMT2A
SCHEMBL3403007 0.87 CNR1 (0.52) PIK3CACNR1HTR2CALDH1A1MEN1
SCHEMBL3401081 0.86 LMNA (0.47) CNR1HTR2CALDH1A1POLBMEN1
SCHEMBL3404795 0.85 CNR1 (0.53) CNR1HTR2CALDH1A1MEN1KMT2A
SCHEMBL13071671 0.84 CNR1 (0.48) CNR1HTR2CMEN1KMT2ARAB9A
SCHEMBL3398454 0.84 MAPK1 (0.51) CNR1HTR2CALDH1A1POLBHRH3
SCHEMBL3405417 0.83 KMT2A (0.57) CNR1HTR2CALDH1A1MEN1KMT2A
SCHEMBL3398926 0.83 TRPM8 (0.54) CNR1HTR2CALDH1A1HRH3TRPM8
SCHEMBL3404145 0.83 ALDH1A1 (0.60) CNR1HTR2CALDH1A1MEN1KMT2A

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-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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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 (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 PIK3CA 3561/4885CNR1 35/4885HTR2C 416/4885

“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.