SCHEMBL4122854

SCHEMBL4122854

O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AGTR1 P30556 1/20 0.50
RAB9A P51151 1/20 0.50
TLR9 Q9NR96 1/20 0.50
KCNQ3 O43525 7/20 0.49
KCNQ2 O43526 7/20 0.49
KCNE1 P15382 5/20 0.49
KCNQ1 P51787 5/20 0.49
BACE1 P56817 1/20 0.49
ENPP1 P22413 1/20 0.48
STING1 Q86WV6 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL4112201 0.83 KDM4E (0.54) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL4118526 0.83 MAPT (0.66) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL4121665 0.82 KMT2A (0.58) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL30568974 0.82 KCNQ3 (0.64) SMN1; SMN2NPSR1RAB9AKCNQ3KCNQ2
SCHEMBL6361424 0.82 KCNQ3 (0.64) SMN1; SMN2NPSR1RAB9AKCNQ3KCNQ2
SCHEMBL4115660 0.81 KMT2A (0.58) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL4112815 0.81 SMARCA2 (0.64) KMT2ALMNAMEN1MAPTHTT
SCHEMBL4119219 0.81 KDM4E (0.77) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL22092668 0.81 KCNQ3 (0.71) KMT2ALMNAMEN1SMN1; SMN2RAB9A
SCHEMBL4115554 0.81 MEN1 (0.59) KMT2ALMNAMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 KMT2A 2807/4885LMNA 4283/4885MEN1 3273/4885

“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.