SCHEMBL2153243

SCHEMBL2153243

COc1ccc(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
ALOX12 P18054 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
HTT P42858 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
GPR55 Q9Y2T6 1/20 1.00
CYP1A2 P05177 5/20 0.77
CYP2D6 P10635 5/20 0.77
CYP2C9 P11712 5/20 0.77
CYP2C19 P33261 5/20 0.77
CYP3A4 P08684 4/20 0.77
NPC1 O15118 2/20 0.63
LMNA P02545 1/20 0.63
ATM Q13315 1/20 0.59
HPGD P15428 1/20 0.57
ACHE P22303 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL168699 0.95 ALDH1A1 (0.90) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL167636 0.87 ALDH1A1 (0.77) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL2153304 0.85 ALDH1A1 (0.74) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL12467306 0.84 ALDH1A1 (0.72) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL165611 0.84 ALDH1A1 (0.72) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL2153021 0.82 ALDH1A1 (0.70) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL168012 0.82 ALDH1A1 (0.69) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL168734 0.82 ALDH1A1 (0.69) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL12839889 0.81 ALDH1A1 (0.68) ALDH1A1ALOX12NPSR1HTTL3MBTL1
SCHEMBL167878 0.81 ALDH1A1 (0.67) ALDH1A1ALOX12NPSR1HTTL3MBTL1

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 ALDH1A1 797/4885ALOX12 3731/4885NPSR1 574/4885

“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.