SCHEMBL10163668

SCHEMBL10163668

COc1cc2c(O)ccc([N+](=O)[O-])c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.54
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PRKDC P78527 1/20 0.46
CTSH P09668 1/20 0.45
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 2/20 0.44
GALR2 O43603 1/20 0.44
EGFR P00533 1/20 0.44
SYK P43405 1/20 0.44
VCP P55072 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL28978906 0.84 CTSB (0.68) CTSBALDH1A1TDP1MAPTKDM4E
SCHEMBL2087414 0.77 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL11058082 0.76 CTSB (0.68) CTSBALDH1A1TDP1MAPTKDM4E
Methoxymethane SCHEMBL7777573 0.76 CTSB (0.86) CTSBALDH1A1TDP1MAPTKDM4E
SCHEMBL28577614 0.75 ALDH1A1 (0.50) CTSBALDH1A1TDP1MAPTKDM4E
SCHEMBL31032881 0.75 CTSB (0.61) CTSBALDH1A1TDP1MAPTKDM4E
SCHEMBL224904 0.74 ALDH1A1 (0.56) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29800558 0.73 ALDH1A1 (0.68) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL210330 0.73 ALDH1A1 (0.68) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL426021 0.73 ALDH1A1 (0.56) ALDH1A1TDP1MAPTKDM4ECYP3A4

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
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 CTSB 1625/4885ALDH1A1 3095/4885TDP1 1005/4885

“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.