SCHEMBL13311458

SCHEMBL13311458

O=Nc1ccc(O)c2sc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 8/20 0.41
MAPT P10636 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
XBP1 P17861 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GAA P10253 4/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL3886209 0.75 IDO1 (0.47) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL5218956 0.75 MAOA (0.57) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL30422223 0.75 ALOX5 (0.43) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL3636775 0.75 ALOX5 (0.43) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL3292618 0.72 CTSB (0.54) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL13311444 0.71 TNKS (0.33) ALDH1A1MAPTL3MBTL1TNKSTNKS2
SCHEMBL8078642 0.71 MAPT (0.57) ALDH1A1MAPTL3MBTL1RAB9ANPSR1
SCHEMBL28757870 0.71 AKR1B1 (0.46) ALDH1A1KDM4ERAB9ATDP1ALOX5
SCHEMBL2126343 0.70 MAOA (0.51) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL1615170 0.70 MAOB (0.51) ALDH1A1KDM4EMAPTL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732483-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-06-08 US disclosed
US-20080242664-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-10-02 US disclosed
US-7402607-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-07-22 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 (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-20080242664-A1 DNA-PK INHIBITORS XRCC6, XRCC5, POLK ALDH1A1 4383/4885KDM4E 378/4885MAPT 4209/4885

“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.