SCHEMBL4113174

SCHEMBL4113174

COc1cc(NC(=O)Nc2ccc(OC(F)F)cc2)ncn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
RAF1 P04049 3/20 0.53
KDR P35968 10/20 0.52
TNNI3K Q59H18 10/20 0.52
MAPK14 Q16539 8/20 0.52
KDM4E B2RXH2 2/20 0.51
BRAF P15056 5/20 0.51
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL4124294 0.91 KDR (0.52) RAF1KDRTNNI3KMAPK14BRAF
SCHEMBL5198659 0.89 KDR (0.51) TP53RAF1KDRTNNI3KMAPK14
SCHEMBL4111952 0.81 TP53 (0.73) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4119219 0.80 KDM4E (0.77) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4104721 0.79 KDR (0.55) TP53RAF1KDRTNNI3KMAPK14
SCHEMBL4119179 0.79 SMN1; SMN2 (0.73) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4118526 0.77 MAPT (0.66) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4110649 0.77 MAPT (0.74) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4116166 0.76 MAPT (0.58) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4105198 0.75 MAPT (0.68) KDM4EALDH1A1MAPTSMN1; SMN2MEN1

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 5 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

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 TP53 4802/4885RAF1 2587/4885KDR 3246/4885

“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.