SCHEMBL800427

SCHEMBL800427

CC(N)c1nc(-c2nc(-c3nc(C(=O)OCc4ccccc4)co3)co2)co1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC15A1 P46059 1/20 0.35
NPC1 O15118 1/20 0.35
AKR1B1 P15121 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL10045786 0.89 DAGLA (0.37) ATMALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL800428 0.82 ATM (0.46) ATMALDH1A1KMT2AMAPT
SCHEMBL800936 0.82 ATM (0.41) ATMTDP1ELANEDAGLA
SCHEMBL15867717 0.79 TDP1 (0.46) ATMALDH1A1TDP1SLC6A2SLC6A3
SCHEMBL12299153 0.76 CTSL (0.45) ATMMAPTDAGLA
SCHEMBL10072672 0.75 MAPT (0.40) ATMALDH1A1MAPTELANELMNA
SCHEMBL800815 0.74 CTSL (0.44) ATMMAPT
SCHEMBL22005650 0.72 TDP1 (0.50) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL800486 0.71 HDAC1 (0.34) ALDH1A1DAGLA
SCHEMBL800463 0.71 MAPT (0.44) ATMMAPT

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 ATM 1276/4885ALDH1A1 2041/4885TDP1 103/4885

“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.