SCHEMBL4368274

SCHEMBL4368274

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PARP1 P09874 5/20 0.53
TNKS2 Q9H2K2 1/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
TYMS P04818 5/20 0.50
TRPV1 Q8NER1 4/20 0.50
IP6K1 Q92551 1/20 0.49
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ACVR1 Q04771 2/20 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
SCHEMBL9252606 0.89 KDM4E (0.58) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL27389640 0.86 KDM4E (0.55) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL20327604 0.86 KDM4E (0.55) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL31283993 0.86 TRPV1 (0.58) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL27159742 0.86 KDM4E (0.55) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL24625171 0.86 KDM4E (0.55) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL30816135 0.84 KDM4E (0.53) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL27159709 0.84 KDM4E (0.53) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL23520715 0.84 KDM4E (0.56) KDM4ENPC1USP2ALDH1A1GLA
SCHEMBL29991873 0.81 KDM4E (0.50) KDM4ENPC1USP2ALDH1A1GLA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
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-7410974-B2 Halogenated Quinazolinyl nitrofurans as antibacterial agents ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2008-08-12 US disclosed
US-7410974-B2 Halogenated Quinazolinyl nitrofurans as antibacterial agents ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2008-08-12 US disclosed
US-7410974-B2 Halogenated Quinazolinyl nitrofurans as antibacterial agents ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2008-08-12 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
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
EP-1660486-A4 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCT (CA) 2006-12-13 EP disclosed
US-20060258693-A1 Halogenated quinazolinyl nitrofurans as antibacterial agents ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2006-11-16 US disclosed
EP-1660486-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS Ulysses Pharmaceuticals Products Inc. (CA) 2006-05-31 EP disclosed
WO-2005014585-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2005-02-17 WO 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 (2 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 KDM4E 3381/4885NPC1 484/4885USP2 598/4885
US-20060258693-A1 Halogenated quinazolinyl nitrofurans as antibacterial agents C1S, HRH1, NQO2 KDM4E 3941/4885NPC1 193/4885USP2 1058/4885

“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.