SCHEMBL1680567

SCHEMBL1680567

N#Cc1ccc(Oc2cccc(OCc3ccccc3)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
MAOA P21397 1/20 0.46
NR4A2 P43354 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
LCK P06239 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BCHE P06276 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
SMPD1 P17405 1/20 0.42
IMPDH2 P12268 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1680710 0.81 MAOB (0.50) MAOBMAOAKDM4EALDH1A1SGMS2
SCHEMBL12943536 0.81 GUSB (0.33) ALDH1A1MEN1KMT2A
SCHEMBL1106848 0.80 TSHR (0.41) MAOAKDM4EALDH1A1MEN1KMT2A
SCHEMBL1680585 0.77 MAOB (0.50) MAOBMAOANR4A2LCKCYP4F2
SCHEMBL28237963 0.76 MAOB (0.72) MAOBMAOANR4A2LCKCYP4F2
SCHEMBL1680332 0.76 VEGFA (0.38) KDM4EALDH1A1CDK1
SCHEMBL16886110 0.75 MAOB (0.70) MAOBMAOANR4A2LCKCYP4F2
SCHEMBL1680588 0.75 AR (0.49) ALDH1A1MEN1KMT2A
SCHEMBL4150602 0.74 SPHK2 (0.51) MAOBNR4A2KDM4EALDH1A1PKM
SCHEMBL1268719 0.74 MAOB (0.81) MAOBMAOANR4A2LCKCYP4F2

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 6 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-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
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 MAOB 1175/4885MAOA 562/4885NR4A2 1418/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAOB 2220/4885MAOA 1732/4885NR4A2 2336/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAOB 1205/4885MAOA 538/4885NR4A2 1660/4885

“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.