SCHEMBL2153249

SCHEMBL2153249

O=C(NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
ALOX5 P09917 1/20 0.64
ALDH1A1 P00352 8/20 0.63
LMNA P02545 4/20 0.63
MAPT P10636 2/20 0.63
MAOB P27338 1/20 0.62
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 4/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55

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
SCHEMBL30865951 0.81 ALOX5 (0.72) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL12069952 0.80 KMT2A (0.84) ALOX5ALDH1A1MAPTPOLBKMT2A
SCHEMBL13836513 0.79 ALOX5 (0.72) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL16227143 0.79 ALDH1A1 (0.73) ALDH1A1LMNAMAPTMAOBHTT
SCHEMBL19357185 0.78 MGLL (0.74) ALDH1A1LMNAMAPTMAOBKMT2A
SCHEMBL2153286 0.78 ALOX5 (1.00) ALOX5ALDH1A1LMNAMAPTHTT
SCHEMBL31350986 0.77 MAOB (1.00) ALDH1A1MAPTMAOBKMT2A
SCHEMBL12488830 0.77 ALOX5 (0.71) ALOX5ALDH1A1POLBKMT2A
SCHEMBL9659506 0.77 HTT (0.61) TDP1ALDH1A1MAPTMAOBHTT
SCHEMBL13836598 0.77 ALOX5 (0.67) ALOX5ALDH1A1LMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 TDP1 3893/4885ALOX5 3758/4885ALDH1A1 797/4885

“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.