SCHEMBL10132418

SCHEMBL10132418

COc1c(CO)c(-c2ccc(-c3ccccc3)cc2)cc2c1c[n+](C)c1c3cc4c(cc3ccc21)OCO4

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 5/20 0.59
HPGD P15428 5/20 0.59
MAPK1 P28482 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
BCHE P06276 5/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TP53 P04637 3/20 0.59
CYP3A4 P08684 3/20 0.59
ALOX15 P16050 3/20 0.59
ALOX12 P18054 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP1A2 P05177 3/20 0.59
NPC1 O15118 2/20 0.59
USP2 O75604 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59

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
SCHEMBL10132360 0.86 ACHE (0.60) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL10132441 0.86 RAC1 (0.49) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL10132415 0.84 ALDH1A1 (0.54) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL10132463 0.84 TDP1 (0.51) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL10132426 0.81 ALDH1A1 (0.50) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL10132407 0.81 BAD (0.65) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL16982075 0.80 ALDH1A1 (0.74) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL10132417 0.80 ALDH1A1 (0.49) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL13283969 0.80 ALDH1A1 (0.64) ACHEALDH1A1MAPTHPGDMAPK1
SCHEMBL13284305 0.77 ALDH1A1 (0.66) ACHEALDH1A1MAPTHPGDMAPK1

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 ACHE 4187/4885ALDH1A1 3095/4885MAPT 4875/4885

“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.