SCHEMBL4124271

SCHEMBL4124271

O=C(Nc1ccc(OC(F)F)cc1)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ADORA3 P0DMS8 1/20 0.64
PIM1 P11309 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
FLT3 P36888 1/20 0.64
PIM3 Q86V86 1/20 0.64
AURKB Q96GD4 1/20 0.64
LMNA P02545 3/20 0.61
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 1/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 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
SCHEMBL4112485 0.83 KDM4E (0.70) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4111928 0.82 MAPT (0.68) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4118526 0.82 MAPT (0.66) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4111952 0.81 TP53 (0.73) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5814693 0.80 CNR1 (0.57) RAB9ANPC1SMN1; SMN2ADORA3PIM1
SCHEMBL4121987 0.79 CNR1 (0.67) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL9317689 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ADORA3PIM1
SCHEMBL4121124 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4124128 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4124133 0.79 MAPT (0.59) SMN1; SMN2LMNAKMT2AMEN1MAPT

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.