SCHEMBL10163145

SCHEMBL10163145

Bc1c2c(cc3c([N+](=O)[O-])cccc13)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 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
SCHEMBL426488 0.83 CDK2 (0.46) CDK2TDP1ALDH1A1MAPTMEN1
SCHEMBL8316191 0.75 ALDH1A1 (0.51) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6257481 0.74 TXNRD1 (0.62) CDK2TDP1ALDH1A1MAPTMEN1
SCHEMBL30379968 0.74 TXNRD1 (0.62) CDK2TDP1ALDH1A1MAPTMEN1
SCHEMBL423560 0.69 CTSB (0.53) CDK2TDP1ALDH1A1MAPTMEN1
SCHEMBL29475175 0.67 TDP1 (1.00) TDP1ALDH1A1CYP3A4SMN1; SMN2POLB
SCHEMBL57166 0.67 TDP1 (1.00) TDP1ALDH1A1CYP3A4SMN1; SMN2POLB
SCHEMBL1744130 0.67 TXNRD1 (0.56) CDK2TDP1ALDH1A1MAPTMEN1
SCHEMBL10163152 0.66 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL718255 0.66 MAPT (0.74) TDP1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH CDK2 110/4885TDP1 1005/4885ALDH1A1 3095/4885

“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.