SCHEMBL10132807

SCHEMBL10132807

COc1cc2c([N+](=O)[O-])cccc2c(-c2ccc(S(=O)(=O)N(C)C)cc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
POLB P06746 3/20 0.50
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
VCAM1 P19320 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 4/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 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
SCHEMBL10132774 0.85 MAPT (0.42) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL10132579 0.84 ABCB1 (0.50) ALDH1A1TDP1ABCB1
SCHEMBL10132630 0.84 TDP1 (0.43) ALDH1A1KMT2AHPGDTDP1TUBB4A
SCHEMBL424909 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1TDP1TUBB4ATUBB
SCHEMBL10132809 0.83 GAA (0.44) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL10161844 0.82 ALDH1A1 (0.46) ALDH1A1POLBMAPK1TDP1TUBB4A
SCHEMBL12074714 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAAMAPK1
SCHEMBL10132749 0.78 TDP1 (0.42) ALDH1A1NPSR1MAPTTDP1TUBB4A
SCHEMBL9989149 0.78 ABCB1 (0.41) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL10132794 0.76 TUBB4A (0.43) ALDH1A1NPSR1MAPTTDP1TUBB4A

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 3095/4885POLB 725/4885PKM 2345/4885

“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.