SCHEMBL4460926

SCHEMBL4460926

O=C(C1=COC(c2ccccc2Cl)O1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.44
EPAS1 Q99814 1/20 0.44
HTR2C P28335 1/20 0.43
KMT2A Q03164 1/20 0.43
PHGDH O43175 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MGLL Q99685 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 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
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL6938284 0.70 MGLL (0.68) ALDH1A1SMN1; SMN2HTTKMT2AKDM4E
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL4648775 0.67 MGLL (0.62) ALDH1A1SMN1; SMN2HTTKMT2AKDM4E
SCHEMBL5370319 0.67 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAHTR2CKMT2A
SCHEMBL7121916 0.65 SMN1; SMN2 (0.77) PKMALDH1A1SMN1; SMN2USP2HTT
SCHEMBL4986865 0.64 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2LMNAHTR2CKMT2A
SCHEMBL2473331 0.64 KMT2A (0.35) ALDH1A1SMN1; SMN2HTR2CKMT2AKDM4E
SCHEMBL29130477 0.63 PHGDH (0.50) PKMALDH1A1SMN1; SMN2HTTAKR1C3
SCHEMBL946143 0.63 HPGD (0.86) ALDH1A1SMN1; SMN2LMNAAKR1C3KMT2A
SCHEMBL30395623 0.62 EPAS1 (0.55) ALDH1A1SMN1; SMN2HTTEPAS1HTR2C
SCHEMBL28916553 0.62 MGLL (0.64) ALDH1A1SMN1; SMN2LMNAAKR1C3KMT2A

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 PKM 2705/4885ALDH1A1 607/4885SMN1; SMN2 3267/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 PKM 2924/4885ALDH1A1 299/4885SMN1; SMN2 3008/4885

“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.