SCHEMBL10132636

SCHEMBL10132636

COc1ccc(-c2c(OC)c(OC)cc3c(N(C)C(=O)c4c(Br)ccc5c4OCO5)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
TARBP2 Q15633 2/20 0.38
EDNRA P25101 5/20 0.36
EDNRB P24530 5/20 0.36
CYP3A4 P08684 3/20 0.35
ABCB11 O95342 1/20 0.35
TUBB8B A6NNZ2 1/20 0.35
MEN1 O00255 1/20 0.35
SLC22A2 O15244 1/20 0.35
MLNR O43193 1/20 0.35
TUBB4A P04350 1/20 0.35
CYP1A2 P05177 1/20 0.35
TUBB P07437 1/20 0.35
ADRB1 P08588 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2A P28223 1/20 0.35
MAPK1 P28482 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL10132591 0.93 NPSR1 (0.42) NPSR1TP53TARBP2EDNRAEDNRB
SCHEMBL10132602 0.93 NPSR1 (0.43) NPSR1TP53TARBP2EDNRAEDNRB
SCHEMBL10132634 0.83 RXFP1 (0.45) TP53EDNRAEDNRBCYP3A4MEN1
SCHEMBL10132624 0.82 EDNRA (0.39) TARBP2EDNRAEDNRBMEN1HTR2A
SCHEMBL10132869 0.81 CYP19A1 (0.36) NPSR1EDNRAMEN1HTR2AKMT2A
SCHEMBL10163248 0.78 TUBB4A (0.41) NPSR1TP53MEN1TUBB4ATUBB
SCHEMBL419335 0.78 NPSR1 (0.38) NPSR1TP53TARBP2EDNRAEDNRB
SCHEMBL10163166 0.78 TUBB4A (0.42) NPSR1TP53MEN1TUBB4ACYP1A2
SCHEMBL10163168 0.77 GAA (0.39) NPSR1TP53MEN1TUBB4ATUBB
SCHEMBL10162955 0.77 PDE3B (0.39) NPSR1TP53TUBB4ATUBBTUBA3C

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 5 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-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
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 NPSR1 1352/4885TP53 3385/4885TARBP2 3659/4885

“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.