SCHEMBL4365944

SCHEMBL4365944

CCNc1nc(/C=C/c2ccc([N+](=O)[O-])o2)nc2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HTT P42858 5/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 4/20 0.40
POLB P06746 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT3 P36888 10/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALOX12 P18054 1/20 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
SCHEMBL4365949 1.00 MAPT (0.44) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4883432 0.84 PDE5A (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4368998 0.84 PDE5A (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4377434 0.83 JAK2 (0.39) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4377437 0.83 JAK2 (0.39) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4363237 0.82 KMT2A (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4363239 0.82 KMT2A (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4886383 0.82 FLT3 (0.50) MEN1KMT2AHTTLMNANPC1
SCHEMBL4886376 0.82 FLT3 (0.50) MEN1KMT2AHTTLMNANPC1
SCHEMBL4365890 0.82 KDM1A (0.47) MAPTMEN1KMT2AHTTLMNA

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 4 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
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 MAPT 4864/4885MEN1 1271/4885KMT2A 3390/4885

“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.