SCHEMBL4413666

SCHEMBL4413666

O=C(Nc1ccc(N2CCCC2)cc1)C1=C(O)C2CNCCC2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.43
RAB9A P51151 12/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 3/20 0.43
MAPT P10636 9/20 0.42
TP53 P04637 4/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GFER P55789 2/20 0.42
KMT2A Q03164 9/20 0.41
MEN1 O00255 7/20 0.41
MCL1 Q07820 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL4102849 0.99 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4426378 0.99 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4102854 0.99 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4422917 0.92 RAB9A (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL13597897 0.91 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4417379 0.88 LMNA (0.39) NPC1RAB9AALDH1A1TP53LMNA
SCHEMBL4421088 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4421087 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL13597907 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL4421091 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1USP2

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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 NPC1 163/4885RAB9A 2428/4885SMN1; SMN2 4143/4885

“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.