SCHEMBL10132675

SCHEMBL10132675

COc1cc2c(N(C)C(=O)c3c(Br)ccc(C)c3OC)cccc2c(C2=CCCCC2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.34
C5AR1 P21730 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 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
SCHEMBL10163657 0.93 ALDH1A1 (0.33) PSMB5C5AR1ALDH1A1NPC1RAB9A
SCHEMBL10132696 0.84 TUBB4A (0.41) ALDH1A1RAB9ASMN1; SMN2TUBB4ATUBB
SCHEMBL10132643 0.82 TUBB4A (0.40) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10132670 0.82 KMT2A (0.42) PSMB5ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10132688 0.80 TUBB4A (0.33) C5AR1ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL10132801 0.80 TUBB4A (0.40) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10132847 0.79 ABCB1 (0.45) ALDH1A1NPC1TUBB4ATUBBTUBA3C
SCHEMBL10162955 0.79 PDE3B (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132815 0.79 KMT2A (0.41) ALDH1A1MEN1KMT2A
SCHEMBL10132657 0.78 TUBB4A (0.40) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B

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 PSMB5 1153/4885C5AR1 1109/4885ALDH1A1 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.