SCHEMBL10163152

SCHEMBL10163152

O=[N+]([O-])c1ccc(Cc2ccccc2)c2cc3c(cc12)OCO3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43

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
SCHEMBL17589616 0.79 TDP1 (0.52) ALDH1A1CYP3A4
SCHEMBL15759442 0.76 PTGS1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL423560 0.74 CTSB (0.53) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL8316191 0.71 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL29434631 0.70 TSHR (0.44) ALDH1A1MAPTKDM4ETXNRD1TXNRD3
SCHEMBL40607 0.69 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5248985 0.69 CYP1A2 (0.59) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL10506965 0.69 TDP1 (0.50) ALDH1A1MAPTTXNRD1MEN1KMT2A
SCHEMBL1275610 0.69 CYP1A2 (0.56) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL16274025 0.69 POLB (0.49) ALDH1A1MAPTKDM4ECYP1A2PTGS2

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 ALDH1A1 3095/4885MAPT 4875/4885KDM4E 536/4885

“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.