SCHEMBL4244100

SCHEMBL4244100

O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)CC(C2CCCCC2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
TRPV1 Q8NER1 2/20 0.39
PTGS1 P23219 2/20 0.39

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
SCHEMBL4245288 0.84 DEGS1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4246914 0.84 MAPT (0.43) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4237397 0.82 MAPT (0.46) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4246968 0.81 EPHX1 (0.48) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4250686 0.80 KMT2A (0.44) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL13598079 0.80 RXFP1 (0.48) RXFP1LMNAMEN1KMT2AHTT
SCHEMBL4246135 0.79 ALDH1A1 (0.52) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4421045 0.78 RXFP1 (0.46) RXFP1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4421044 0.78 RXFP1 (0.46) RXFP1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL13743509 0.78 NPC1 (0.51) RXFP1SMN1; SMN2NPC1RAB9APTGS1

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
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 RXFP1 4700/4885LMNA 2709/4885MEN1 2345/4885

“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.