SCHEMBL4373847

SCHEMBL4373847

Cc1nc2cc(F)c(N3CCN(C)CC3)cc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
TNKS O95271 2/20 0.46
HTR3A P46098 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4365201 0.95 ALDH1A1 (0.46) IP6K1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4364496 0.86 IP6K1 (0.47) IP6K1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4377425 0.81 ALDH1A1 (0.46) IP6K1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL29800566 0.78 TNKS (0.48) IP6K1ALDH1A1MAPTKDM4ENPC1
SCHEMBL23316383 0.78 TNKS (0.48) IP6K1ALDH1A1MAPTKDM4ENPC1
SCHEMBL4368274 0.77 KDM4E (0.62) IP6K1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL29800672 0.77 TNKS (0.47) IP6K1ALDH1A1MAPTKDM4ENPC1
SCHEMBL23316356 0.77 TNKS (0.47) IP6K1ALDH1A1MAPTKDM4ENPC1
SCHEMBL20511901 0.76 KDM4E (0.63) IP6K1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL23316396 0.76 TNKS (0.44) IP6K1ALDH1A1MAPTKDM4ENPC1

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 IP6K1 4784/4885ALDH1A1 1414/4885MAPT 4864/4885

“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.