SCHEMBL4463092

SCHEMBL4463092

COc1ccc(C(Cl)(Cl)c2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.44
AMY1A P0DUB6 1/20 0.39
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
POLB P06746 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
FPR1 P21462 2/20 0.35
FPR2 P25090 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4468836 0.89 KIF11 (0.45) KIF11AMY1ACYP11B1CYP11B2SMN1; SMN2
SCHEMBL4474593 0.78 TDP1 (0.48) HTTLMNANPSR1HPGDCYP3A4
SCHEMBL4469997 0.77 HPGD (0.52) HTTLMNANPSR1HPGDSMN1; SMN2
SCHEMBL11599192 0.76 MAPT (0.41) KIF11AMY1AHTTHPGDSMN1; SMN2
SCHEMBL11860877 0.76 RELA (0.42) KIF11LMNASMN1; SMN2POLBNPC1
SCHEMBL11858741 0.74 MAPT (0.42) HTTLMNANPSR1HPGDGAA
SCHEMBL15305003 0.72 CYP11B2 (0.59) KIF11CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL1506600 0.72 KIF11 (0.49) KIF11AMY1ACYP11B1CYP11B2SMN1; SMN2
SCHEMBL10686133 0.72 KIF11 (0.49) KIF11AMY1ACYP11B1CYP11B2SMN1; SMN2
SCHEMBL28661528 0.71 KIF11 (0.48) KIF11AMY1ACYP11B1CYP11B2CYP1A1

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-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 KIF11 4299/4885AMY1A 3554/4885HTT 3224/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 KIF11 4326/4885AMY1A 1533/4885HTT 3764/4885

“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.