SCHEMBL4240935

SCHEMBL4240935

O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)CC(c2ccccc2)NC1=O.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LDHA P00338 3/20 0.45
RXFP1 Q9HBX9 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
PTGS1 P23219 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
THRB P10828 1/20 0.41
DHODH Q02127 1/20 0.41
KDR P35968 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LDHB P07195 1/20 0.40

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
SCHEMBL13743509 0.99 NPC1 (0.51) NPC1RAB9ALDHARXFP1HDAC11
SCHEMBL4566900 0.86 LDHA (0.48) NPC1RAB9ALDHARXFP1LDHB
SCHEMBL4242831 0.86 LDHA (0.48) NPC1RAB9ALDHASMN1; SMN2DHODH
SCHEMBL4380936 0.85 LDHA (0.49) NPC1RAB9ALDHASMN1; SMN2DHODH
SCHEMBL4248057 0.85 LDHA (0.49) NPC1RAB9ALDHASMN1; SMN2DHODH
SCHEMBL4384687 0.85 LDHA (0.49) NPC1RAB9ALDHASMN1; SMN2DHODH
SCHEMBL4237844 0.84 LDHA (0.48) NPC1RAB9ALDHASMN1; SMN2DHODH
SCHEMBL13743520 0.84 LDHA (0.48) NPC1RAB9ALDHARXFP1LDHB
SCHEMBL4245614 0.82 PGR (0.49) NPC1RAB9ALDHASMN1; SMN2DHODH
SCHEMBL4246935 0.82 NPC1 (0.47) NPC1RAB9ARXFP1PTGS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 NPC1 163/4885RAB9A 2428/4885LDHA 3026/4885

“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.