SCHEMBL4043370

SCHEMBL4043370

O=[N+]([O-])C=Cc1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.53
FBP1 P09467 9/20 0.44
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR183 P32249 1/20 0.40
RXRA P19793 1/20 0.40
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AMY1A P0DUB6 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ABL2 P42684 1/20 0.38

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
SCHEMBL12860019 1.00 VCP (0.53) VCPFBP1MEN1PSMD14KMT2A
SCHEMBL18524372 0.86 VCP (0.57) VCPFBP1MEN1PSMD14KMT2A
SCHEMBL18524374 0.86 VCP (0.57) VCPFBP1MEN1PSMD14KMT2A
SCHEMBL147060 0.82 FBP1 (0.56) VCPFBP1MEN1PSMD14KMT2A
SCHEMBL121050 0.82 FBP1 (0.56) VCPFBP1MEN1PSMD14KMT2A
SCHEMBL20177880 0.79 FBP1 (0.53) VCPFBP1MEN1PSMD14KMT2A
SCHEMBL1800452 0.79 HSP90AA1 (0.47) VCPFBP1RXRAALDH1A1HSP90AA1
SCHEMBL30139113 0.79 HSP90AA1 (0.47) VCPFBP1RXRAALDH1A1HSP90AA1
SCHEMBL1570071 0.79 HSP90AA1 (0.47) VCPFBP1RXRAALDH1A1HSP90AA1
SCHEMBL29149940 0.79 FBP1 (0.53) VCPFBP1MEN1PSMD14KMT2A

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 VCP 4217/4885FBP1 2405/4885MEN1 3925/4885
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 VCP 4103/4885FBP1 4335/4885MEN1 682/4885

“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.