SCHEMBL3399706

SCHEMBL3399706

CCn1c(-c2cccc3ccccc23)nc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HTR2C P28335 7/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
SOS1 Q07889 1/20 0.37
HTR2A P28223 1/20 0.37
DHFR P00374 1/20 0.37
CYP2D6 P10635 1/20 0.37
CRHR1 P34998 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35

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
SCHEMBL3404825 0.77 PTGER4 (0.43) KDM4EHTR2CCYP1A2CYP2C19CYP3A4
SCHEMBL6271229 0.76 NLRP3 (0.50) KDM4ECYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL3403801 0.75 KDM4E (0.39) KDM4EHTR2CCYP1A2CYP2C19CYP3A4
SCHEMBL5928955 0.73 GABRA1 (0.42) KDM4ECYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL14545925 0.70 ALDH1A1 (0.44) KDM4EHTR2CCYP1A2CYP2C19CYP3A4
SCHEMBL3403551 0.70 KDM4E (0.44) KDM4EHTR2CALDH1A1HPGD
SCHEMBL3405737 0.69 MAPK1 (0.59) KDM4EHTR2CCYP1A2ALDH1A1LMNA
SCHEMBL3400011 0.69 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3402974 0.68 KDM4E (0.48) KDM4EHTR2CCYP1A2CYP2C19CYP3A4
SCHEMBL3404326 0.67 TLR8 (0.39) KDM4EHTR2CALDH1A1HPGDHTR2A

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 10 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
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
EP-1848428-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-10-31 EP disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 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 3449/4885HTR2C 416/4885CYP1A2 1326/4885

“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.