SCHEMBL10163082

SCHEMBL10163082

COC1=c2c[n+](C)c3c(ccc4c(-c5cccnc5)c(OC)c(OC)cc43)c2=CCC1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TUBB4A P04350 2/20 0.33
▸ TUBB P07437 2/20 0.33
▸ TUBA3C P0DPH7 2/20 0.33
▸ TUBA1B P68363 2/20 0.33
▸ TUBA4A P68366 2/20 0.33
▸ TUBB4B P68371 2/20 0.33
▸ TUBB3 Q13509 2/20 0.33
▸ TUBB2A Q13885 2/20 0.33
▸ TUBB8 Q3ZCM7 2/20 0.33

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
SCHEMBL10161706 0.88 RAD52 (0.32) —
SCHEMBL10161708 0.83 RAD52 (0.30) —
SCHEMBL10163075 0.82 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10163077 0.82 TUBB4A (0.33) POLBMAPK1ALDH1A1NPC1LMNA
SCHEMBL10163076 0.80 GAA (0.34) MAPK1ALDH1A1GAA
SCHEMBL10161707 0.79 ALDH1A1 (0.32) POLBMAPK1ALDH1A1NPC1LMNA
SCHEMBL10161703 0.77 ALDH1A1 (0.31) POLBMAPK1ALDH1A1NPC1LMNA
SCHEMBL10163129 0.76 RAD52 (0.35) NPC1EGFR
SCHEMBL10132839 0.74 RAC1 (0.41) POLBMAPK1HTTALDH1A1NPC1
SCHEMBL10132309 0.73 RAC1 (0.38) POLBMAPK1HTTALDH1A1NPC1

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 POLB 725/4885MAPK1 730/4885HTT 4360/4885

“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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