SCHEMBL4876145

SCHEMBL4876145

O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])o2)nc2cc(OCCN3CCOCC3)c(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
NPC1 O15118 5/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
USP2 O75604 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPK9 P45984 1/20 0.37
RAB9A P51151 4/20 0.37

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
SCHEMBL4372188 1.00 MAOB (0.38) MAOBKMT2AMEN1NPC1ALDH1A1
SCHEMBL14167727 0.86 MAOB (0.39) MAOBMAPKAPK2P2RY12EGFRPDE3B
SCHEMBL4880136 0.84 ALDH1A1 (0.40) KMT2AMEN1NPC1ALDH1A1POLB
SCHEMBL4368994 0.84 ALDH1A1 (0.40) KMT2AMEN1NPC1ALDH1A1POLB
SCHEMBL4361524 0.84 EGFR (0.38) MAOBKMT2AMEN1NPC1ALDH1A1
SCHEMBL4886774 0.84 EGFR (0.38) MAOBKMT2AMEN1NPC1ALDH1A1
SCHEMBL4373884 0.81 ALDH1A1 (0.40) KMT2AMEN1NPC1ALDH1A1POLB
SCHEMBL4373882 0.81 ALDH1A1 (0.40) KMT2AMEN1NPC1ALDH1A1POLB
SCHEMBL13893465 0.80 SMN1; SMN2 (0.35) MAOBKMT2ANPC1ALDH1A1CYP1A2
SCHEMBL4365493 0.78 EGFR (0.44) KMT2AMEN1NPC1ALDH1A1POLB

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 2 patents. 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
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 MAOB 2321/4885KMT2A 3390/4885MEN1 1271/4885

“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.