SCHEMBL10132725

SCHEMBL10132725

COc1cc2c(-c3ccccc3)cc3c4ccc(C)c(OC)c4c[n+](C)c3c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAC1 P63000 3/20 0.46
▸ CDC42 P60953 2/20 0.46
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ BCHE P06276 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ATP2A1 O14983 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL13283980 0.91 RAC1 (0.56) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL13284132 0.89 RAC1 (0.54) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL10132692 0.84 RAC1 (0.46) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL10132447 0.84 RAC1 (0.44) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL10132640 0.82 RAC1 (0.44) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL10132872 0.80 RAC1 (0.63) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL10132291 0.79 RAD52 (0.39) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL13284305 0.78 ALDH1A1 (0.66) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL10132554 0.78 CD274 (0.39) RAC1CDC42KMT2AALDH1A1HPGD
SCHEMBL13284343 0.77 RAC1 (0.51) RAC1CDC42KMT2AALDH1A1HPGD

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 RAC1 1000/4885CDC42 747/4885KMT2A 2916/4885

“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.

Send feedback