SCHEMBL1558366

SCHEMBL1558366

O=C(Cl)C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 2/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
IMPDH2 P12268 1/20 0.56
HAT1 O14929 1/20 0.54
EP300 Q09472 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PPARG P37231 2/20 0.50
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
LTA4H P09960 1/20 0.49
PLA2G2A P14555 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 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
SCHEMBL11194622 0.90 ALDH1A1 (0.59) MDH2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL28757823 0.90 MDH2 (0.72) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL16714028 0.89 MDH2 (0.85) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL6823832 0.86 MDH2 (0.70) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL2084401 0.86 MDH2 (0.66) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL17023377 0.85 MDH2 (0.72) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL5894674 0.84 ALDH1A1 (0.51) MDH2ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6824330 0.84 MDH2 (0.70) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL4486238 0.84 ALDH1A1 (0.64) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2
SCHEMBL2433763 0.83 MDH2 (0.69) MDH2ALDH1A1HPGDSMN1; SMN2IMPDH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2011-07-07 US disclosed
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2011-07-07 US disclosed
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2011-07-07 US disclosed
EP-2303840-A2 CALCIUM ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2011-04-06 EP disclosed
WO-2010001179-A2 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-07 WO disclosed
WO-2010001179-A2 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-07 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 (1 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-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof CACNA1E, CACNA1B, KCNN3 MDH2 1985/4885ALDH1A1 3399/4885HPGD 2495/4885

“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.