SCHEMBL10132461

SCHEMBL10132461

COc1c(CO)cc(-c2ccc3[nH]cnc3c2)c2c1c[n+](C)c1c3cc4c(cc3ccc21)OCO4

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 4/20 0.47
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 3/20 0.47
ALOX15 P16050 3/20 0.47
ALOX12 P18054 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
USP2 O75604 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
TSHR P16473 3/20 0.47

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
SCHEMBL13284359 0.90 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132485 0.89 RAC1 (0.38) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132464 0.88 MAPK1 (0.43) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132463 0.86 TDP1 (0.51) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132470 0.84 MAPK1 (0.43) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132452 0.84 ALDH1A1 (0.52) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132415 0.84 ALDH1A1 (0.54) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13284360 0.80 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10132453 0.78 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13284128 0.77 ALDH1A1 (0.56) MAPK1ALDH1A1MAPTHPGDSMN1; 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 MAPK1 730/4885ALDH1A1 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.