SCHEMBL1680332

SCHEMBL1680332

N#Cc1ccc(Oc2cccc(F)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NFE2L2 Q16236 1/20 0.35
MAP4K4 O95819 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL1680719 0.83 AR (0.49) SLC22A12FNTAFNTBPGGT1BCNR1
SCHEMBL1680588 0.83 AR (0.49) MRGPRX1ALDH1A1PTGS1PTGS2GCK
SCHEMBL1680570 0.83 FNTA (0.36) FNTAFNTBPGGT1BMAPTALDH1A1
SCHEMBL1106848 0.81 TSHR (0.41) MAPTKDM4EALDH1A1HPGD
SCHEMBL921181 0.80 POLB (0.47) MAPTKDM4EALDH1A1
SCHEMBL12943536 0.80 GUSB (0.33) MAPTALDH1A1HPGD
SCHEMBL510507 0.80 GAA (0.43) SLC22A12MRGPRX1MMP2MMP9MMP14
SCHEMBL5697493 0.77 MRGPRX1 (0.45) MRGPRX1MMP2MMP3MMP9MMP14
SCHEMBL5697491 0.77 MRGPRX1 (0.39) MRGPRX1MMP2MMP3MMP9MMP14
SCHEMBL1680567 0.76 MAOB (0.49) KDM4EALDH1A1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 VEGFA 4569/4885SLC22A12 1759/4885MRGPRX1 220/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD VEGFA 4763/4885SLC22A12 1257/4885MRGPRX1 58/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 VEGFA 4565/4885SLC22A12 2031/4885MRGPRX1 245/4885

“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.