SCHEMBL974575

SCHEMBL974575

CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cn2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM1A O60341 1/20 0.42
HSD11B1 P28845 4/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
UCHL1 P09936 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HSD11B2 P80365 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL26933937 0.86 SCN9A (0.48) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL31506839 0.86 SCN9A (0.48) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL6792353 0.85 SCN5A (0.45) HDAC1SCN5ASCN9ACKS1BSKP1
SCHEMBL8513844 0.82 HSD11B1 (0.54) HDAC1HSD11B1PPARGPPARDPPARA
SCHEMBL975330 0.81 HSD11B1 (0.48) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL26933920 0.81 GPR119 (0.50) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL31631235 0.81 GPR119 (0.50) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL975484 0.79 USP30 (0.49) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL973976 0.79 HSD11B1 (0.43) HDAC1HDAC6SCN5ASCN9AKDM1A
SCHEMBL15205695 0.78 MAP4K4 (0.42) CKS1BSKP1SKP2GPR119

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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 (2 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT HDAC1 2906/4885HDAC6 2013/4885SCN5A 2560/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HDAC1 2818/4885HDAC6 2093/4885SCN5A 1604/4885

“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.