SCHEMBL3399700

SCHEMBL3399700

COc1ccc2cc(-c3nc(C)c(C(=O)NCCN4CCCCC4)s3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.52
SCN9A Q15858 6/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACHE P22303 1/20 0.48
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
PPARA Q07869 2/20 0.46
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
CHRM4 P08173 1/20 0.45
CACNA1G O43497 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL3398394 0.99 KDM4E (0.54) KDM4EPOLBSCN9AMAPTALDH1A1
SCHEMBL3401183 0.93 MAPT (0.49) KDM4EPOLBMAPTALDH1A1CYP1A2
SCHEMBL3398904 0.91 POLB (0.60) KDM4EPOLBSCN9AMAPTALDH1A1
SCHEMBL3405815 0.89 MAPT (0.52) KDM4EPOLBMAPTCYP2C9CACNA1G
SCHEMBL3403888 0.87 MAPT (0.53) POLBMAPTTHRBLMNA
SCHEMBL3398788 0.86 MAPT (0.48) KDM4EPOLBMAPTALDH1A1CYP1A2
SCHEMBL3404993 0.85 POLB (0.53) KDM4EPOLBSCN9AMAPTALDH1A1
SCHEMBL3398806 0.85 CHRM4 (0.54) POLBSCN9AMAPTALDH1A1CYP1A2
SCHEMBL3402155 0.85 CD274 (0.55) POLBSCN9AMAPTALDH1A1CYP1A2
SCHEMBL3400929 0.84 SCN9A (0.49) SCN9AMAPTCHRM4

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 KDM4E 3449/4885POLB 4629/4885SCN9A 1350/4885

“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.