SCHEMBL10132417

SCHEMBL10132417

COc1c(CO)ccc2c1c[n+](C)c1c3cc4c(cc3cc(-c3ccc(-c5ccccc5)cc3)c21)OCO4

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
HPGD P15428 6/20 0.49
MAPK1 P28482 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TP53 P04637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
CYP3A4 P08684 3/20 0.49
ALOX15 P16050 3/20 0.49
ALOX12 P18054 3/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 3/20 0.49
USP2 O75604 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49

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
SCHEMBL13283970 0.89 ALDH1A1 (0.64) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132442 0.87 RAC1 (0.39) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132415 0.85 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132426 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132464 0.84 MAPK1 (0.43) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132405 0.82 BAD (0.60) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL16982075 0.80 ALDH1A1 (0.74) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132418 0.80 ACHE (0.59) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL13283969 0.78 ALDH1A1 (0.64) ALDH1A1MAPTHPGDMAPK1SMN1; SMN2
SCHEMBL10132362 0.76 ALDH1A1 (0.51) 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.