SCHEMBL2283159

SCHEMBL2283159

CC1Cc2cc(Cl)c[c]c2O1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
PARP1 P09874 3/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL2247994 0.68 MAOA (0.41) TDP1SMN1; SMN2PARP1MAOAMAOB
SCHEMBL15724650 0.68 TDP1 (0.56) TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL10696856 0.68 TDP1 (0.56) TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL3487104 0.68 MAOA (0.41) TDP1SMN1; SMN2PARP1MAOAMAOB
SCHEMBL9983116 0.67 EZH2 (0.38) TDP1PARP1MAOAMAOB
SCHEMBL18768108 0.67 AKR1B1 (0.43) PARP1MAOAMAOB
SCHEMBL12036044 0.66 MAOA (0.40) TDP1PARP1ALDH1A1MAOAMAOB
SCHEMBL3047514 0.64 USP2 (0.35)
SCHEMBL13799419 0.64 AKR1B1 (0.44) TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL18751317 0.63 EZH2 (0.41) TDP1PARP1MAOAMAOB

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-7989481-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US claimed
US-7605174-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-20 US claimed
EP-1888547-A1 INDANE DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-02-20 EP claimed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 US claimed
WO-2006133459-A1 INDANE DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-12-14 WO claimed
US-7989481-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-20090326023-A1 Indane Derivatives as Modulators of ION Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US disclosed
US-7605174-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-20 US disclosed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 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 (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-20090326023-A1 Indane Derivatives as Modulators of ION Channels KCNJ2, TRPV1, KCNJ1 TDP1 3291/4885SMN1; SMN2 1301/4885PARP1 3998/4885
US-20070117801-A1 Indane derivatives as modulator of ion channels KCNJ2, TRPV1, KCNJ1 TDP1 3514/4885SMN1; SMN2 1255/4885PARP1 4243/4885

“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.