SCHEMBL4380936

SCHEMBL4380936

O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)C[C@H](c2ccccc2)NC1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.49
DEGS1 O15121 1/20 0.45
LDHB P07195 1/20 0.44
KDM1A O60341 1/20 0.43
PTPN1 P18031 4/20 0.43
DHODH Q02127 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
PTGES O14684 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4248057 1.00 LDHA (0.49) LDHADEGS1LDHBKDM1APTPN1
SCHEMBL4384687 1.00 LDHA (0.49) LDHADEGS1LDHBKDM1APTPN1
SCHEMBL4237844 0.99 LDHA (0.48) LDHADEGS1LDHBKDM1APTPN1
SCHEMBL4242831 0.99 LDHA (0.48) LDHADEGS1LDHBKDM1APTPN1
SCHEMBL13743520 0.89 LDHA (0.48) LDHADEGS1LDHBKDM1ANPC1
SCHEMBL4566900 0.89 LDHA (0.48) LDHALDHBKDM1ANPC1MAPT
SCHEMBL4245614 0.87 PGR (0.49) LDHADHODHNPC1MAPTRAB9A
SCHEMBL4383784 0.86 MGLL (0.44) LDHAMEN1KMT2A
SCHEMBL13743509 0.86 NPC1 (0.51) LDHALDHBDHODHNPC1RAB9A
SCHEMBL4242864 0.86 NPC1 (0.50) LDHANPC1MAPTRAB9AALDH1A1

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 LDHA 3026/4885DEGS1 496/4885LDHB 2683/4885

“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.