SCHEMBL4886427

SCHEMBL4886427

O=[N+]([O-])c1ccc(C=Cc2nc(N3C[C@@H](O)[C@H](O)C3)c3cc(N4CCOCC4)c(F)cc3n2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
KMT2A Q03164 8/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 7/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
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
LMNA P02545 4/20 0.36
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 6/20 0.36
POLB P06746 5/20 0.36
HSP90AA1 P07900 2/20 0.36
MITF O75030 2/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL4367067 1.00 MAPT (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL14163648 1.00 MAPT (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4367066 1.00 MAPT (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4886420 1.00 MAPT (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13893527 1.00 MAPT (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4369481 0.85 MAPT (0.39) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4369479 0.85 MAPT (0.39) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13893526 0.82 EHMT2 (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4376948 0.82 EHMT2 (0.36) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4376951 0.82 EHMT2 (0.36) MAPTKMT2AALDH1A1MEN1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4864/4885KMT2A 3390/4885ALDH1A1 1414/4885

“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.