SCHEMBL4474890

SCHEMBL4474890

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
MAPK1 P28482 3/20 0.67
USP2 O75604 1/20 0.67
LMNA P02545 3/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
HSP90AA1 P07900 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A7 Q99884 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL16026460 0.78 CA12 (0.71) SMN1; SMN2MAPK1USP2LMNAHTT
SCHEMBL2826036 0.77 MAPT (0.62) SMN1; SMN2HTTKDM4ETSHRHSP90AA1
SCHEMBL3369843 0.77 HPGD (0.58) USP2LMNAKDM4ETSHRHSP90AA1
SCHEMBL10341777 0.77 HSP90AA1 (0.85) SMN1; SMN2MAPK1USP2LMNAHTT
SCHEMBL4462777 0.76 CNR1 (0.73) SMN1; SMN2MAPK1USP2LMNAHTT
SCHEMBL16595411 0.75 CA12 (0.67) SMN1; SMN2MAPK1USP2LMNAHTT
SCHEMBL4460147 0.75 CNR1 (0.72) SMN1; SMN2MAPK1USP2HTTMEN1
SCHEMBL4481337 0.75 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1USP2LMNAHTT
SCHEMBL3577850 0.75 HSP90AA1 (0.76) SMN1; SMN2MAPK1USP2LMNAHTT
SCHEMBL27607283 0.74 AKR1C3 (0.83) SMN1; SMN2MAPK1USP2LMNAHTT

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-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
CN-100486973-C Novel benzodioxoles HOFFMANN LA ROCHE (CH) 2009-05-13 CN disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
CN-1671684-A New benzodioxoles HOFFMANN LA ROCHE (CH) 2005-09-21 CN 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.