SCHEMBL4112124

SCHEMBL4112124

N#CCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
HTT P42858 5/20 0.61
MAPT P10636 4/20 0.61
LMNA P02545 1/20 0.61
RAB9A P51151 6/20 0.60
THRB P10828 1/20 0.60
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.53
TAAR1 Q96RJ0 1/20 0.53
GAA P10253 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
MAOB P27338 1/20 0.50
XBP1 P17861 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CNR1 P21554 1/20 0.49
CA12 O43570 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
SCHEMBL4104736 0.85 NPC1 (0.71) NPC1HTTMAPTLMNARAB9A
SCHEMBL4110329 0.84 NPC1 (0.67) NPC1HTTMAPTLMNARAB9A
SCHEMBL4119195 0.83 NPC1 (0.61) NPC1HTTMAPTLMNARAB9A
SCHEMBL4122896 0.83 RAB9A (0.61) NPC1HTTMAPTLMNARAB9A
SCHEMBL4117959 0.83 NPC1 (0.74) NPC1HTTMAPTLMNARAB9A
SCHEMBL18615982 0.82 KMT2A (0.64) NPC1HTTMAPTLMNARAB9A
SCHEMBL4111413 0.81 NPC1 (0.59) NPC1HTTMAPTLMNARAB9A
SCHEMBL4106316 0.81 NPC1 (0.58) NPC1HTTMAPTLMNARAB9A
SCHEMBL37742 0.80 IDO1 (0.46) MAPTLMNAKMT2ATAAR1MAOB
SCHEMBL3070329 0.80 KMT2A (0.76) NPC1HTTMAPTRAB9AKMT2A

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 NPC1 927/4885HTT 1736/4885MAPT 1654/4885

“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.