SCHEMBL3405430

SCHEMBL3405430

O=C(c1cnc(-c2cccc3ccccc23)[nH]1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.47
ACACA Q13085 4/20 0.47
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
SYK P43405 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 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
SCHEMBL14545939 0.98 ACACB (0.44) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL3405425 0.81 PARP1 (0.42) KDM4ESYKHRH3KCNH2
SCHEMBL3405422 0.80 LMNA (0.48) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL14545934 0.79 KDM4E (0.43) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL13072005 0.78 KDM4E (0.43) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL3400872 0.78 LMNA (0.46) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL14546059 0.78 HRH3 (0.46) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL3405212 0.77 SIGMAR1 (0.49) KDM4EALDH1A1KMT2A
SCHEMBL3403025 0.76 USP2 (0.49) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL5554900 0.76 HTR2C (0.43) ACACBACACAKDM4EALDH1A1POLB

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 ACACB 2191/4885ACACA 1797/4885KDM4E 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.