SCHEMBL4112201

SCHEMBL4112201

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 6/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.50
STING1 Q86WV6 1/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.45
AGTR1 P30556 1/20 0.45
TLR9 Q9NR96 1/20 0.45
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44
ADAM17 P78536 1/20 0.44
MAPK1 P28482 1/20 0.44
PABPC1 P11940 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4119219 0.84 KDM4E (0.77) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4118526 0.83 MAPT (0.66) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4122854 0.83 KMT2A (0.56) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4115660 0.81 KMT2A (0.58) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4115554 0.81 MEN1 (0.59) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL5200731 0.79 KDM4E (0.59) KDM4EMAPTKMT2AMEN1LMNA
Urea SCHEMBL4110289 0.79 MAPT (0.61) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4111928 0.77 MAPT (0.68) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4113827 0.77 MAPT (0.75) KDM4EMAPTKMT2AMEN1LMNA
SCHEMBL4125152 0.76 STING1 (0.47) KDM4EMAPTKMT2AMEN1LMNA

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 6 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
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
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 KDM4E 854/4885MAPT 1654/4885KMT2A 2807/4885

“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.