SCHEMBL1542223

SCHEMBL1542223

O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
KCNH2 Q12809 1/20 0.60
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.58
ALOX12 P18054 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL167878 0.86 ALDH1A1 (0.67) PKMHTTALDH1A1ALOX12NPSR1
SCHEMBL5450556 0.82 ALDH1A1 (0.70) HTTALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL2153255 0.80 MEN1 (0.66) HTTALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL2153304 0.77 ALDH1A1 (0.74) HTTALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL2153021 0.77 ALDH1A1 (0.70) HTTALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL12839889 0.76 ALDH1A1 (0.68) HTTALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL11064749 0.74 PKM (0.67) PKMALDH1A1L3MBTL1KDM4E
SCHEMBL12467306 0.74 ALDH1A1 (0.72) PKMHTTALDH1A1ALOX12NPSR1
SCHEMBL2153154 0.74 MMP1 (0.75) HTTALDH1A1ALOX12NPSR1L3MBTL1
SCHEMBL2153243 0.74 ALDH1A1 (1.00) HTTALDH1A1ALOX12NPSR1L3MBTL1

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 8 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
EP-2307440-A2 HEPARAN SULFATE INHIBITORS Zacharon Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100048638-A1 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-02-25 US disclosed
US-20100048638-A1 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-02-25 US disclosed
US-20100048638-A1 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-02-25 US disclosed
WO-2010003023-A2 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003023-A2 HEPARAN SULFATE INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 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 (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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 PKM 4578/4885KCNH2 4867/4885HTT 2106/4885
US-20100048638-A1 HEPARAN SULFATE INHIBITORS HPSE, ENGASE, CSGALNACT1 PKM 3376/4885KCNH2 4843/4885HTT 806/4885

“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.