SCHEMBL4886840

SCHEMBL4886840

O=[N+]([O-])c1ccc(/C=C/c2nc(NC3CC3)c3cc(F)c(N4CCOCC4)cc3n2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.40
EHMT1 Q9H9B1 4/20 0.40
MAPT P10636 6/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
HSP90AA1 P07900 2/20 0.36
POLB P06746 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.35
RAB9A P51151 2/20 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
SCHEMBL4886854 1.00 EHMT2 (0.40) EHMT2EHMT1MAPTALDH1A1LMNA
SCHEMBL4376948 0.93 EHMT2 (0.36) EHMT2EHMT1MAPTALDH1A1LMNA
SCHEMBL13893526 0.93 EHMT2 (0.36) EHMT2EHMT1MAPTALDH1A1LMNA
SCHEMBL4376951 0.93 EHMT2 (0.36) EHMT2EHMT1MAPTALDH1A1LMNA
SCHEMBL4879167 0.88 EHMT2 (0.42) EHMT2EHMT1MAPTALDH1A1LMNA
SCHEMBL4879152 0.88 EHMT2 (0.42) EHMT2EHMT1MAPTALDH1A1LMNA
SCHEMBL4369469 0.87 MAPT (0.40) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL4369466 0.87 MAPT (0.40) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL14164377 0.85 EHMT2 (0.41) EHMT2EHMT1IRAK4
SCHEMBL4375416 0.85 ALDH1A1 (0.44) MAPTALDH1A1LMNAHTTNPSR1

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
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 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-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS HRH3, HRH1, NQO2 EHMT2 2910/4885EHMT1 2802/4885MAPT 4864/4885

“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.