SCHEMBL3404549

SCHEMBL3404549

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
KMT2A Q03164 2/20 0.48
HTR2C P28335 7/20 0.47
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
PARP1 P09874 1/20 0.40
EPHX2 P34913 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
SCHEMBL3399805 0.88 CNR1 (0.56) CNR1KMT2AHTR2CTHRATHRB
SCHEMBL13071671 0.87 CNR1 (0.48) CNR1KMT2AHTR2CTRPM8MAPT
SCHEMBL3400052 0.87 CNR1 (0.54) CNR1HTR2CTHRATHRBKDM4E
SCHEMBL3399653 0.86 CNR1 (0.54) CNR1KMT2AHTR2CTHRATHRB
SCHEMBL3404377 0.86 TRPM8 (0.57) CNR1KMT2AHTR2CTRPM8ALDH1A1
SCHEMBL3401781 0.86 CNR1 (0.70) CNR1KMT2AHTR2CALDH1A1MAPT
SCHEMBL3402546 0.85 CNR1 (0.53) CNR1KMT2AHTR2CTHRATHRB
SCHEMBL3403374 0.84 CNR1 (0.52) CNR1KMT2AHTR2CTHRATHRB
SCHEMBL3399780 0.84 CNR1 (0.54) CNR1KMT2AHTR2CTHRATHRB
SCHEMBL3405128 0.84 CNR1 (0.52) CNR1KMT2AHTR2CTHRATHRB

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 CNR1 35/4885KMT2A 890/4885HTR2C 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.