SCHEMBL3982399

SCHEMBL3982399

COC(=O)c1c(O)c2cc(Br)ccc2[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.56
NR4A2 P43354 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EGFR P00533 1/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX5 P09917 1/20 0.45
NLRP3 Q96P20 1/20 0.45

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
SCHEMBL15966771 0.85 KDM5A (0.59) GSK3BALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL16651672 0.83 MEN1 (0.50) NR4A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6313673 0.83 GSK3B (0.56) GSK3BNR4A2MEN1KMT2AALDH1A1
SCHEMBL3985035 0.82 GSK3B (0.54) GSK3BMEN1KMT2AKDM4EHPGD
SCHEMBL21465541 0.81 MAPT (0.57) NR4A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1622313 0.80 KDM4E (0.71) NR4A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL30681958 0.80 KDM4E (0.71) NR4A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL31146008 0.77 KDM4E (0.50) GSK3BKMT2AALDH1A1KDM4EHPGD
SCHEMBL23863063 0.77 NR4A2 (0.54) NR4A2MEN1KMT2AALDH1A1KDM4E
SCHEMBL11375801 0.77 KMT2A (0.61) MEN1KMT2AALDH1A1KDM4EHPGD

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 GSK3B 1546/4885NR4A2 3787/4885MEN1 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.