SCHEMBL4888925

SCHEMBL4888925

CN1CCN(c2cc3c(Nc4ccc(S(C)(=O)=O)cc4)nc(C=Cc4ccc([N+](=O)[O-])o4)nc3cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 2/20 0.37
PTK2 Q05397 2/20 0.37
BRD4 O60885 2/20 0.37
FLT3 P36888 1/20 0.37
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
MITF O75030 2/20 0.36
EIF2AK2 P19525 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 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
SCHEMBL4362881 1.00 MAPT (0.37) MAPTKDM4EJAK2JAK3PTK2
SCHEMBL4887131 0.91 ALDH1A1 (0.40) MAPTKDM4EKMT2ANPC1MITF
SCHEMBL4887139 0.91 ALDH1A1 (0.40) MAPTKDM4EKMT2ANPC1MITF
SCHEMBL4361530 0.90 SLC6A9 (0.41) MAPTJAK2JAK3PTK2KMT2A
SCHEMBL4361534 0.90 SLC6A9 (0.41) MAPTJAK2JAK3PTK2KMT2A
SCHEMBL4543948 0.88 ALDH1A1 (0.40) MAPTKDM4EKMT2ANPC1MITF
SCHEMBL4373856 0.88 ALDH1A1 (0.40) MAPTKDM4EKMT2ANPC1MITF
SCHEMBL14167897 0.87 JAK2 (0.37) JAK2JAK3PTK2BRD4FLT3
SCHEMBL4367091 0.86 MAPT (0.37) MAPTKDM4EJAK3BRD4FLT3
SCHEMBL4880323 0.86 MAPT (0.37) MAPTKDM4EJAK3BRD4FLT3

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 4864/4885KDM4E 3381/4885JAK2 3172/4885

“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.