SCHEMBL422233

SCHEMBL422233

NC(=O)C1=COC(c2cccc(Br)c2)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
HDAC4 P56524 1/20 0.41
KDM1A O60341 3/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RCOR1 Q9UKL0 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FFAR1 O14842 3/20 0.33
C1S P09871 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL423789 0.87 HDAC4 (0.42) PARP1HDAC4KDM1ATSHRNPSR1
SCHEMBL1172104 0.73 PARP10 (0.33) PARP10
SCHEMBL264648 0.68 KDM1A (0.47) HDAC4KDM1ATSHRNPSR1RCOR1
SCHEMBL28524795 0.66 KDM1A (0.51) PARP1HDAC4KDM1ATSHRNPSR1
SCHEMBL11332948 0.65 KDM1A (0.44) HDAC4KDM1ATSHRRCOR1HTR2A
SCHEMBL11638570 0.65 KDM1A (0.44) HDAC4KDM1ATSHRNPSR1RCOR1
SCHEMBL5373713 0.65 ALDH1A1 (0.38) KDM1AKDM4EALDH1A1
SCHEMBL194639 0.63 KDM1A (0.50) HDAC4KDM1ARCOR1HTR2AHTR2C
SCHEMBL4134868 0.63 KDM1A (0.48) PARP1HDAC4KDM1ATSHRNPSR1
SCHEMBL4134867 0.63 KDM1A (0.59) PARP1HDAC4KDM1ATSHRNPSR1

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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 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 PARP1 1409/4885HDAC4 113/4885KDM1A 695/4885

“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.