SCHEMBL3404043

SCHEMBL3404043

COc1cc(-c2nc(C)c(C(=O)NCCN3CCCC3)s2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SLC29A1 Q99808 1/20 0.50
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.46
PTK2 Q05397 1/20 0.45
HTR4 Q13639 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM4 P08173 1/20 0.42
POLR1A O95602 1/20 0.42
HPGD P15428 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
SCHEMBL3403888 0.89 MAPT (0.53) SMN1; SMN2MAPTLMNAPOLBKMT2A
SCHEMBL3398788 0.86 MAPT (0.48) SMN1; SMN2MAPTLMNAPOLBKMT2A
SCHEMBL3402155 0.85 CD274 (0.55) SMN1; SMN2MAPTLMNAPOLBKMT2A
SCHEMBL3398904 0.85 POLB (0.60) MAPTLMNAPOLBKDM4ENPC1
SCHEMBL3405210 0.83 CHRM4 (0.51) SMN1; SMN2NPSR1NPC1ALDH1A1HSD17B10
SCHEMBL3396893 0.83 SCN9A (0.48) SMN1; SMN2MAPTPOLBKMT2ANPSR1
SCHEMBL3405815 0.83 MAPT (0.52) MAPTLMNAPOLBKDM4ENPC1
SCHEMBL3398394 0.83 KDM4E (0.54) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL3399342 0.83 KMT2A (0.49) SMN1; SMN2POLBKMT2AKDM4EALDH1A1
SCHEMBL3405545 0.82 CHRM4 (0.50) SMN1; SMN2NPSR1NPC1ALDH1A1HSD17B10

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 SMN1; SMN2 1605/4885MAPT 342/4885LMNA 4548/4885

“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.