SCHEMBL10163076

SCHEMBL10163076

COC1=c2c[n+](C)c3c(ccc4c(-c5ccc(S(=O)(=O)N(C)C)cc5)c(OC)c(OC)cc43)c2=CCC1OC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ RAD52 P43351 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL10163075 0.88 TUBB4A (0.33) MAPT
SCHEMBL10161706 0.86 RAD52 (0.32) RAD52
SCHEMBL10163077 0.81 TUBB4A (0.33) MAPK1ALDH1A1MAPT
SCHEMBL10163082 0.80 POLB (0.35) GAAMAPK1ALDH1A1
SCHEMBL10161708 0.80 RAD52 (0.30) RAD52
SCHEMBL10161707 0.78 ALDH1A1 (0.32) MAPK1ALDH1A1RAD52MAPT
SCHEMBL10132806 0.77 RAC1 (0.40) GAAMAPK1ALDH1A1RAD52MAPT
SCHEMBL10161703 0.75 ALDH1A1 (0.31) MAPK1ALDH1A1MAPT
SCHEMBL10132305 0.73 ALDH1A1 (0.38) GAAMAPK1ALDH1A1RAD52MAPT
SCHEMBL10163129 0.71 RAD52 (0.35) RAD52

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 1906/4885MAPK1 730/4885ALDH1A1 3095/4885

“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.

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