SCHEMBL4248174

SCHEMBL4248174

O=C(Nc1ccc(-n2cccn2)cc1)C1=C(O)CC(c2ccccc2)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
LDHA P00338 3/20 0.41
TBK1 Q9UHD2 1/20 0.38
F10 P00742 1/20 0.38
LDHB P07195 1/20 0.37
ADAM17 P78536 1/20 0.37
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
NPY5R Q15761 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GALK1 P51570 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL4566900 0.82 LDHA (0.48) ALDH1A1PKMHTTRECQLLDHA
SCHEMBL4244777 0.82 CHEK2 (0.39) HDAC4ALDH1A1TBK1F10KMT2A
SCHEMBL13743531 0.81 KMT2A (0.38) HDAC4ALDH1A1TBK1F10KMT2A
SCHEMBL4380936 0.81 LDHA (0.49) ALDH1A1PKMHTTRECQLLDHA
SCHEMBL4384687 0.81 LDHA (0.49) ALDH1A1PKMHTTRECQLLDHA
SCHEMBL4248057 0.81 LDHA (0.49) ALDH1A1PKMHTTRECQLLDHA
SCHEMBL4238314 0.81 NPC1 (0.55) ALDH1A1PKMHTTKMT2ATP53
SCHEMBL13743520 0.80 LDHA (0.48) ALDH1A1PKMHTTRECQLLDHA
SCHEMBL4242831 0.80 LDHA (0.48) ALDH1A1PKMHTTRECQLLDHA
SCHEMBL4237844 0.80 LDHA (0.48) ALDH1A1PKMHTTRECQLLDHA

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 HDAC4 3628/4885ALDH1A1 3119/4885PKM 2442/4885

“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.