SCHEMBL4112485

SCHEMBL4112485

O=C(Nc1ccc(OC(F)F)cc1)Nc1cnccn1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
POLB P06746 3/20 0.70
KMT2A Q03164 8/20 0.67
RAB9A P51151 7/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 3/20 0.63
MEN1 O00255 3/20 0.52
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4124271 0.83 RAB9A (0.64) KDM4EKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14517930 0.82 KDM4E (1.00) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL4118526 0.81 MAPT (0.66) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL4111952 0.80 TP53 (0.73) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL4104597 0.79 ABL1 (0.57) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL3804620 0.78 RAB9A (0.74) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL4121124 0.78 RAB9A (0.67) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11115961 0.77 RAB9A (1.00) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL14517928 0.77 RAB9A (0.72) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL2033652 0.77 KDM4E (0.71) KDM4EPOLBKMT2ARAB9ASMN1; SMN2

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 3 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 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 854/4885POLB 4267/4885KMT2A 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.