SCHEMBL16689463

SCHEMBL16689463

N#Cc1cc(CCc2ccc(CO)cc2)sc1N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHKA P35790 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DAO P14920 1/20 0.32
S1PR1 P21453 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL3345196 0.84 MAOB (0.43) MEN1ALDH1A1MAPTKMT2ADAO
SCHEMBL16690706 0.81 MAOB (0.44) MEN1ALDH1A1MAPTKMT2A
SCHEMBL16689472 0.80 AR (0.41) ALDH1A1S1PR1
SCHEMBL16689467 0.77 IKBKB (0.41) IKBKBCHUKMEN1ALDH1A1MAPT
SCHEMBL1974446 0.74 ALDH1A1 (0.38) IKBKBMEN1ALDH1A1MAPTKMT2A
SCHEMBL11811716 0.71 ALDH1A1 (0.44) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL3301918 0.70 ADORA1 (0.46) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4840749 0.70 GAA (0.41) IKBKBMEN1ALDH1A1MAPTKMT2A
SCHEMBL28846698 0.70
SCHEMBL23827482 0.69 ALDH1A1 (0.40) MEN1ALDH1A1MAPTKMT2ANPSR1

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-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 IKBKB 1110/4885CHUK 1233/4885MEN1 1180/4885

“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.