SCHEMBL12704682

SCHEMBL12704682

Cc1ccc(NN)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
AGPAT2 O15120 1/20 0.31
RAB9A P51151 1/20 0.31
GOT1 P17174 1/20 0.30

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
SCHEMBL16421171 0.77 NOS3 (0.50) ALDH1A1MAPTKDM4EBRD4GAA
SCHEMBL20265503 0.74 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EBRD4GAA
SCHEMBL12704677 0.74 MAPT (0.43) ALDH1A1MAPTKDM4EBRD4GAA
SCHEMBL31200409 0.74 RAB9A (0.46) ALDH1A1MAPTKDM4EBRD4RAB9A
SCHEMBL4204986 0.74 RAB9A (0.46) ALDH1A1MAPTKDM4EBRD4RAB9A
SCHEMBL8180922 0.70
SCHEMBL21939937 0.70 TDP1 (0.30) TDP1
SCHEMBL8136374 0.69 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL9919116 0.69
SCHEMBL331473 0.69

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-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 ALDH1A1 788/4885MAPT 4288/4885KDM4E 214/4885

“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.