SCHEMBL3402383

SCHEMBL3402383

COc1ccc(-c2nc(C)c(C(=O)NCCCN3CCCCC3C)s2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
NPC1 O15118 1/20 0.48
SLC2A1 P11166 1/20 0.47
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.44
MAPT P10636 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CACNA1G O43497 2/20 0.43

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
SCHEMBL3400236 0.89 CYP1A2 (0.54) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3400068 0.88 CYP1A2 (0.58) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3399723 0.86 HSD17B10 (0.51) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3399951 0.86 RAB9A (0.50) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3406018 0.85 HSD17B10 (0.49) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3401951 0.85 HSD17B10 (0.49) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3402499 0.85 CYP1A2 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3400138 0.85 HSD17B10 (0.53) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3405286 0.85 SLC2A1 (0.50) RAB9AHRH3NPC1SLC2A1THRB
SCHEMBL3400825 0.84 CYP1A2 (0.54) HSD17B10CYP1A2CYP2D6CYP2C9TSHR

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 HSD17B10 3129/4885CYP1A2 1326/4885CYP2D6 2046/4885

“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.