SCHEMBL10132415

SCHEMBL10132415

COc1c(CO)cc(-c2ccc(-c3ccccc3)cc2)c2c1c[n+](C)c1c3cc4c(cc3ccc21)OCO4

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.54
HPGD P15428 5/20 0.54
MAPK1 P28482 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
BCHE P06276 5/20 0.54
ACHE P22303 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TP53 P04637 3/20 0.54
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 3/20 0.54
ALOX12 P18054 3/20 0.54
HSD17B10 Q99714 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 3/20 0.54
USP2 O75604 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54

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
SCHEMBL13283969 0.89 ALDH1A1 (0.64) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132443 0.87 RAC1 (0.43) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132363 0.85 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132417 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132418 0.84 ACHE (0.59) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132461 0.84 MAPK1 (0.47) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132404 0.82 ALDH1A1 (0.60) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132426 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL16982075 0.80 ALDH1A1 (0.74) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL13283970 0.78 ALDH1A1 (0.64) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2

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 4875/4885HPGD 1643/4885

“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.