SCHEMBL4124723

SCHEMBL4124723

O=C(Nc1ccc(OC(F)F)cc1)Nc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.70
NPC1 O15118 10/20 0.70
SMN1; SMN2 Q16637 7/20 0.70
PKM P14618 4/20 0.70
NFKB1 P19838 3/20 0.70
NFKB2 Q00653 3/20 0.70
RELA Q04206 3/20 0.70
KMT2A Q03164 5/20 0.68
HTT P42858 5/20 0.66
POLB P06746 1/20 0.66
MAPT P10636 5/20 0.62
MEN1 O00255 4/20 0.62
STING1 Q86WV6 1/20 0.62
KDM4E B2RXH2 1/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CYP1A2 P05177 1/20 0.57
CA9 Q16790 1/20 0.57
LMNA P02545 1/20 0.55

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
SCHEMBL4111928 0.85 MAPT (0.68) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL4118526 0.84 MAPT (0.66) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL4119167 0.84 KMT2A (0.63) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL4106282 0.84 MAPT (0.61) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL4118510 0.84 KMT2A (0.72) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL4115554 0.82 MEN1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL4124838 0.81 IDO1 (0.58) RAB9ANPC1SMN1; SMN2PKMNFKB1
SCHEMBL4124133 0.81 MAPT (0.59) SMN1; SMN2KMT2AHTTMAPTMEN1
SCHEMBL4116853 0.81 MAPT (0.62) RAB9ASMN1; SMN2PKMKMT2AHTT
SCHEMBL4115667 0.80 KMT2A (0.60) RAB9ANPC1SMN1; SMN2KMT2AHTT

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 RAB9A 815/4885NPC1 927/4885SMN1; SMN2 4056/4885

“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.