SCHEMBL1862287

SCHEMBL1862287

Clc1ccc2c(NCCOCCBr)ccnc2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CCR1 P32246 1/20 0.67
FERMT2 Q96AC1 4/20 0.64
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NR4A2 P43354 1/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CDK1 P06493 1/20 0.54

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
SCHEMBL18290380 0.93 CYP1A2 (0.80) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL23640947 0.92 CYP1A2 (0.78) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL15476608 0.92 CYP1A2 (0.78) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL22734290 0.90 CYP1A2 (0.74) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL1860945 0.87 CYP1A2 (0.70) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL1860839 0.86 CYP1A2 (0.82) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL22734279 0.84 FERMT2 (0.67) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL12628595 0.84 CCR1 (0.83) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL8738060 0.83 CYP1A2 (1.00) CYP1A2CCR1FERMT2KDM4ELMNA
SCHEMBL22735859 0.81 FERMT2 (0.63) CYP1A2CCR1FERMT2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
EP-1687312-B1 DUAL MOLECULES CONTAINING PEROXY DERIVATIVE, THE SYNTHESIS AND THERAPEUTIC APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2010-07-14 EP disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 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-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof PRDX2, PRDX1, PRDX5 CYP1A2 210/4885CCR1 4443/4885FERMT2 1686/4885

“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.