SCHEMBL3405422

SCHEMBL3405422

Cc1nc(-c2cccc3ccccc23)[nH]c1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2C P28335 10/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
ACACB O00763 4/20 0.44
ACACA Q13085 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
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
SCHEMBL3400872 0.98 LMNA (0.46) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL14545934 0.87 KDM4E (0.43) LMNASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL13072005 0.86 KDM4E (0.43) LMNASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL3405430 0.80 ACACB (0.47) LMNASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL5554900 0.79 HTR2C (0.43) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL14545939 0.78 ACACB (0.44) HTR2CKDM4EALDH1A1POLBACACB
SCHEMBL3405387 0.78 HTR2C (0.56) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL3401746 0.78 HTR2C (0.75) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL3403025 0.78 USP2 (0.49) LMNASMN1; SMN2HTR2CKDM4EALDH1A1
SCHEMBL14546059 0.77 HRH3 (0.46) HTR2CKDM4EALDH1A1POLBACACB

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 LMNA 4548/4885SMN1; SMN2 1605/4885HTR2C 416/4885

“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.