SCHEMBL3404020

SCHEMBL3404020

CCn1cc(CN2CCN(C(C)C(C)C)CC2)nc1-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CCND1 P24385 1/20 0.34
CDK6 Q00534 1/20 0.34
MC4R P32245 1/20 0.33
TACR2 P21452 2/20 0.33
TACR3 P29371 2/20 0.33
TLR8 Q9NR97 1/20 0.33
ACHE P22303 1/20 0.33
GNRHR P30968 1/20 0.33
TNIK Q9UKE5 1/20 0.32

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
SCHEMBL3402431 0.91 CCND1 (0.40) LMNAMEN1KMT2AKDM4ECCND1
SCHEMBL3405179 0.89 LMNA (0.38) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3399762 0.87 KMT2A (0.45) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3402966 0.87 MEN1 (0.39) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3402347 0.86 LMNA (0.36) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3400798 0.83 MEN1 (0.35) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3405131 0.82 TLR8 (0.43) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL3404354 0.80 SIGMAR1 (0.46) LMNAALDH1A1KDM4ETACR2TACR3
SCHEMBL3399827 0.80 SIGMAR1 (0.43) LMNAALDH1A1KDM4ETACR2TACR3
SCHEMBL3403623 0.80 TLR8 (0.41) LMNATLR8

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 4548/4885MEN1 1347/4885KMT2A 890/4885

“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.