SCHEMBL4885754

SCHEMBL4885754

CN1CCN(c2cc3nc(C=Cc4ccc([N+](=O)[O-])o4)nc(NCCCN4CCCC4)c3cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.41
MELK Q14680 1/20 0.38
KMT5A Q9NQR1 5/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4369838 1.00 FLT3 (0.41) FLT3MELKKMT5AMAPTALDH1A1
SCHEMBL14167499 0.87 FLT3 (0.42) FLT3MELKKMT5ATLR9TLR7
SCHEMBL4883909 0.86 MAPT (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4374749 0.86 MAPT (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4886376 0.85 FLT3 (0.50) FLT3MELKALDH1A1SMN1; SMN2LMNA
SCHEMBL4886383 0.85 FLT3 (0.50) FLT3MELKALDH1A1SMN1; SMN2LMNA
SCHEMBL4370967 0.85 FLT3 (0.55) FLT3MELK
SCHEMBL4370973 0.85 FLT3 (0.55) FLT3MELK
SCHEMBL4543948 0.81 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4373856 0.81 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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 FLT3 1868/4885MELK 4706/4885KMT5A 3036/4885

“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.