SCHEMBL3402085

SCHEMBL3402085

CCN(CC)C1CCN(C(=O)c2sc(-c3ccc(OC)cc3OC)nc2C)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
POLR1A O95602 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.39
CRHR1 P34998 1/20 0.39
KDM1A O60341 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL3401389 0.93 HTR2C (0.42) HTR2CPOLR1AKDM4EALDH1A1MEN1
SCHEMBL3404365 0.88 HTR2C (0.42) HTR2CPOLR1AMEN1KMT2AKDM1A
SCHEMBL3405469 0.88 HTR2C (0.42) HTR2CPOLR1AMEN1KMT2AKDM1A
SCHEMBL3402962 0.87 HTR2C (0.46) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3404372 0.86 HTR2C (0.41) HTR2CPOLR1AMEN1KMT2AKDM1A
SCHEMBL3400020 0.86 HTR2C (0.41) HTR2CPOLR1AKDM4EALDH1A1MEN1
SCHEMBL3401419 0.84 HTR2C (0.40) HTR2CPOLR1AMEN1KMT2AKDM1A
SCHEMBL3400031 0.84 POLR1A (0.40) HTR2CPOLR1AMEN1KMT2ACRHR1
SCHEMBL3405059 0.83 HTR2C (0.56) HTR2CKDM4EMEN1KMT2A
SCHEMBL3405158 0.83 HTR2C (0.50) HTR2CPOLR1AALDH1A1JAK1

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 HTR2C 416/4885POLR1A 4685/4885KDM4E 3449/4885

“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.