SCHEMBL4481337

SCHEMBL4481337

O=C(c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 2/20 0.58
USP2 O75604 1/20 0.58
GRM5 P41594 1/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GFER P55789 1/20 0.52
HTT P42858 2/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SLC6A7 Q99884 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4473338 0.84 HSD17B10 (0.61) SMN1; SMN2MEN1KMT2AHTTTP53
SCHEMBL4475217 0.84 HPGD (0.52) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL19381532 0.76 LMNA (0.56) SMN1; SMN2MAPK1GRM5MEN1KMT2A
SCHEMBL19381358 0.76 NPSR1 (0.58) SMN1; SMN2MAPK1GRM5MEN1KMT2A
SCHEMBL4474890 0.75 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1USP2MEN1KMT2A
SCHEMBL5238577 0.75 GRM5 (0.50) MAPK1GRM5MEN1KMT2AGFER
SCHEMBL5259717 0.74 MAPT (0.60) MAPK1GRM5GFERLMNAKDM4E
SCHEMBL4464916 0.74 FOLH1 (0.56) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2932045 0.74 ALDH1A1 (0.50) SMN1; SMN2MAPK1USP2GRM5MEN1
SCHEMBL1902972 0.73 GRM5 (1.00) GRM5GFERHTTLMNATSHR

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 SMN1; SMN2 3267/4885MAPK1 1793/4885USP2 2511/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 SMN1; SMN2 3008/4885MAPK1 789/4885USP2 2997/4885

“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.