SCHEMBL10162996

SCHEMBL10162996

COc1cc2c(N=O)cccc2c(-c2ccc(S)cc2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
SYK P43405 1/20 0.32
MAOA P21397 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TUBB4A P04350 5/20 0.31
TUBB P07437 5/20 0.31
TUBA3C P0DPH7 5/20 0.31
TUBA1B P68363 5/20 0.31
TUBA4A P68366 5/20 0.31
TUBB4B P68371 5/20 0.31
TUBB3 Q13509 5/20 0.31
TUBB2A Q13885 5/20 0.31
TUBB8 Q3ZCM7 5/20 0.31
TUBA3E Q6PEY2 5/20 0.31
TUBA1A Q71U36 5/20 0.31
TUBA1C Q9BQE3 5/20 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
SCHEMBL10161814 0.80 PARP1 (0.39) MEN1KMT2ASYKTUBB4ATUBB
SCHEMBL10163177 0.80 TUBB4A (0.44) PTGESALOX5MAOATUBB4ATUBB
SCHEMBL10162998 0.79 POLB (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10163308 0.75 ABCB1 (0.41) SYKKDR
SCHEMBL10162969 0.73 PSMB5 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10161796 0.72 TUBB4A (0.36) MEN1KMT2AMAOATUBB4ATUBB
SCHEMBL10163271 0.69 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132593 0.68 ABCB1 (0.43) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL10132632 0.68 PARP1 (0.51) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL10132601 0.67 IDO1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 L3MBTL1 2647/4885MEN1 1493/4885KMT2A 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.