SCHEMBL3979968

SCHEMBL3979968

O=C(O)c1c(O)c2cscc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KDM5A P29375 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL13602070 0.81 KDM5A (0.57) KDM4EKMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL3986764 0.81 MEN1 (0.47) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL4703123 0.77 KDM5A (0.60) KDM4EKMT2AMEN1KDM5AALDH1A1
SCHEMBL13631827 0.76 PADI4 (0.35) KDM4EKMT2AMEN1RXFP1ALDH1A1
SCHEMBL3985154 0.74 KDM4E (0.74) KDM4ETDP1KMT2AMEN1RXFP1
SCHEMBL3988851 0.73 ACHE (0.53) KDM4EKMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL4698095 0.73 NPC1 (0.68) KDM4EKMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL11090367 0.72 GPR35 (0.39) KDM4ETDP1KMT2AMEN1PKM
SCHEMBL1036962 0.72 MAPT (0.67) KDM4E
SCHEMBL13597861 0.72 SERPINE1 (0.53) KMT2AMEN1RXFP1NPC1RAB9A

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
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO 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 KDM4E 3718/4885TDP1 1147/4885KMT2A 4780/4885

“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.