SCHEMBL5451242

SCHEMBL5451242

O=C(Nc1ccc(N2CCNCC2)nc1)Nc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
DGAT1 O75907 13/20 0.52
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK7 Q13164 1/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5471114 0.85 DGAT1 (0.57) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL5459843 0.84 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL5466937 0.83 KMT2A (0.60) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL5465662 0.82 NPC1 (0.59) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL5470922 0.82 DGAT1 (0.61) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL5473462 0.79 DGAT1 (0.53) DGAT1
SCHEMBL3544313 0.79 DGAT1 (0.82) DGAT1
SCHEMBL5467434 0.79 GAA (0.55) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL5467414 0.79 CLK2 (0.51) HTTHDAC3HDAC2MEN1MAPT
SCHEMBL5473556 0.79 DGAT1 (0.57) NPC1RAB9ADGAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 NPC1 1089/4885RAB9A 1528/4885HTT 676/4885

“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.