SCHEMBL10162945

SCHEMBL10162945

COc1cc2c(-c3ccccc3)ccc(N(C)C(=O)c3c(Br)ccc(OC)c3OC)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37
TUBA1C Q9BQE3 3/20 0.37
TUBB6 Q9BUF5 3/20 0.37
TUBB2B Q9BVA1 3/20 0.37
TUBB1 Q9H4B7 3/20 0.37

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
SCHEMBL13283977 0.98 HTT (0.40) HTTCYP1A2CYP2D6HPGDCYP2C19
SCHEMBL10132737 0.92 HTT (0.38) HTTCYP1A2CYP2D6HPGDCYP2C19
SCHEMBL10163166 0.84 TUBB4A (0.42) HTTCYP1A2CYP2D6HPGDCYP2C19
SCHEMBL10132857 0.82 NPSR1 (0.38) HTTACHENPSR1LMNAALDH1A1
SCHEMBL10163248 0.82 TUBB4A (0.41) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10161868 0.81 ALDH1A1 (0.40) HTTCYP1A2CYP2D6HPGDCYP2C19
SCHEMBL419335 0.80 NPSR1 (0.38) HTTCYP1A2HPGDNPSR1LMNA
SCHEMBL10162955 0.78 PDE3B (0.39) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10162989 0.78 LMNA (0.47) HTTNPSR1LMNAALDH1A1KMT2A
SCHEMBL10161750 0.77 TUBB4A (0.43) HTTHPGDTUBB4ATUBBTUBA3C

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 3 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
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO 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 HTT 4360/4885CYP1A2 127/4885CYP2D6 197/4885

“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.