SCHEMBL4373879

SCHEMBL4373879

OCCCNc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.50
FLT4 P35916 2/20 0.49
CDK2 P24941 1/20 0.49
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.45
KDR P35968 4/20 0.44
SPR P35270 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
LTA4H P09960 1/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR2 P21802 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL9755233 0.90 CHRM2 (0.45) KCNH3FLT4CDK2RAB9AGAA
SCHEMBL4383419 0.89 RAB9A (0.50) KCNH3FLT4CDK2RAB9AGAA
SCHEMBL21087536 0.81 CYP2A6 (0.50) FLT4CDK2RAB9AGAASPR
SCHEMBL7999576 0.81 HDAC3 (0.53) FLT4CDK2RAB9AGAASPR
SCHEMBL9036375 0.81 RAB9A (0.47) FLT4CDK2RAB9AGAASPR
SCHEMBL4507702 0.81 LMNA (0.53) KCNH3FLT4CDK2RAB9ANPC1
SCHEMBL3985823 0.80
SCHEMBL215190 0.80 LMNA (0.55) KCNH3FLT4CDK2RAB9ANPC1
SCHEMBL31066863 0.79 LMNA (0.57) KCNH3FLT4CDK2RAB9ANPC1
SCHEMBL31066874 0.79 LMNA (0.57) KCNH3FLT4CDK2RAB9ANPC1

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 5 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
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 KCNH3 25/4885FLT4 4245/4885CDK2 3112/4885

“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.