SCHEMBL5460945

SCHEMBL5460945

O=C(Nc1ccc(C2CCNCC2)cc1)Nc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.62
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 3/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NAMPT P43490 1/20 0.55
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
PKM P14618 1/20 0.53
EPHX2 P34913 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CYP1A2 P05177 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL3302327 0.84 DGAT1 (0.61) JAK3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL3302332 0.84 DGAT1 (0.61) JAK3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5458347 0.81 RAB9A (0.61) JAK3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5455925 0.81 NPC1 (0.56) JAK3NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL160909 0.78 DGAT1 (0.57) JAK3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5465662 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL29537437 0.77 JAK3 (1.00) JAK3
SCHEMBL1992632 0.77 JAK3 (1.00) JAK3
Hydrochloric Acid SCHEMBL1991208 0.76 JAK3 (0.97) JAK3
SCHEMBL4919470 0.76 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HTTPOLB

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 JAK3 3773/4885NPC1 1089/4885RAB9A 1528/4885

“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.