SCHEMBL4117708

SCHEMBL4117708

CC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 2/20 0.61
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
MAPT P10636 9/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
TAAR1 Q96RJ0 1/20 0.58
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
HTT P42858 3/20 0.57
NLRP1 Q9C000 1/20 0.57
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALOX15 P16050 1/20 0.53
GFER P55789 1/20 0.53
ADAM17 P78536 1/20 0.53

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
SCHEMBL4118526 0.88 MAPT (0.66) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL4112123 0.87 ALDH1A1 (0.63) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4117865 0.87 MAPT (0.67) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL185920 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1906677 0.87 ALOX15 (0.61) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL4113847 0.86 MAPT (0.69) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL4118525 0.86 EPHX2 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL4105007 0.86 GLA (0.61) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4105408 0.84 GLA (0.63) ALDH1A1KDM4ECA2MAPTSMN1; SMN2
SCHEMBL4116166 0.84 MAPT (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1

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 10 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
EP-1805212-A1 DESOXO-NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-11 EP disclosed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP disclosed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO disclosed
WO-2006042655-A1 DESOXO-NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 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 (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 ALDH1A1 994/4885KDM4E 854/4885CA12 4452/4885

“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.