SCHEMBL4043374

SCHEMBL4043374

C=Cc1ccc(Br)c([N+](=O)[O-])c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.37
VCP P55072 1/20 0.32
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
PTGER4 P35408 1/20 0.30

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
SCHEMBL27123376 0.84 TYMS (0.39) TYMSPMM2MPIALDH1A1LMNA
SCHEMBL25411924 0.79 ALDH1A1 (0.37) TYMSVCPPMM2MPIALDH1A1
SCHEMBL29084021 0.77 TYMS (0.33) TYMSVCPPMM2MPIALDH1A1
SCHEMBL26908251 0.76 VCP (0.40) TYMSVCPPMM2MPIALDH1A1
SCHEMBL27152155 0.75 ALDH1A1 (0.35) VCPALDH1A1ATM
SCHEMBL2402265 0.75 ALDH1A1 (0.41) TYMSPMM2MPIALDH1A1LMNA
SCHEMBL25171482 0.73 PTGER4 (0.41) TYMSPMM2MPIALDH1A1LMNA
SCHEMBL18338685 0.73 ALDH1A1 (0.40) TYMSALDH1A1LMNAMAPT
SCHEMBL3469093 0.72 ALDH1A1 (0.44) TYMSPMM2MPIALDH1A1LMNA
SCHEMBL31281392 0.70 TYMS (0.35) TYMSPMM2MPIALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-6995269-B2 Guanidinobenzamides CHIRON CORPORATION (US) 2006-02-07 US disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 EP disclosed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US disclosed
US-20030199499-A1 Novel guanidinobenzamides CHIRON CORPORATION 2003-10-23 US disclosed
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example CHIRON CORPORATION 2002-09-26 US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 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-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 TYMS 1763/4885VCP 4217/4885PMM2 1934/4885
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example MC4R, MC5R, MC3R TYMS 4661/4885VCP 4103/4885PMM2 2514/4885

“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.