SCHEMBL10132801

SCHEMBL10132801

COc1cc2c(N(C)C(=O)c3c(Br)ccc(C)c3OC)cccc2c(-c2ccoc2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.40
TUBB P07437 11/20 0.40
TUBA3C P0DPH7 11/20 0.40
TUBA1B P68363 11/20 0.40
TUBA4A P68366 11/20 0.40
TUBB4B P68371 11/20 0.40
TUBB3 Q13509 11/20 0.40
TUBB2A Q13885 11/20 0.40
TUBB8 Q3ZCM7 11/20 0.40
TUBA3E Q6PEY2 11/20 0.40
TUBA1A Q71U36 11/20 0.40
TUBA1C Q9BQE3 11/20 0.40
TUBB6 Q9BUF5 11/20 0.40
TUBB2B Q9BVA1 11/20 0.40
TUBB1 Q9H4B7 11/20 0.40
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 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
SCHEMBL10163179 0.93 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132696 0.88 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132643 0.86 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132847 0.83 ABCB1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132815 0.83 KMT2A (0.41) NPSR1TP53ALDH1A1
SCHEMBL10132657 0.82 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132798 0.81 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10162955 0.81 PDE3B (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10163166 0.81 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132675 0.80 PSMB5 (0.34) 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 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 TUBB4A 1365/4885TUBB 2301/4885TUBA3C 3453/4885

“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.