Sugi Predict

Sugi Predict / Compounds / SCHEMBL10132869

SCHEMBL10132869

SCHEMBL10132869

COc1cc2cccc(N(C)C(=O)c3c(Br)ccc4c3OCO4)c2cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL10132602 0.82 NPSR1 (0.43) ALDH1A1LMNAHTTHTR2ATDP1
SCHEMBL419335 0.82 NPSR1 (0.38) CYP19A1NQO2PIK3CAALDH1A1LMNA
SCHEMBL10132591 0.81 NPSR1 (0.42) ALDH1A1LMNAHTTHTR2AKDM4E
SCHEMBL10132636 0.81 NPSR1 (0.42) LMNAHTR2AKDM4EMEN1KMT2A
SCHEMBL10132624 0.81 EDNRA (0.39) ALDH1A1LMNAHTTHTR2AHTR2C
SCHEMBL10161868 0.80 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1KDM4EHPGD
SCHEMBL10132867 0.79 MAPT (0.47) ALDH1A1LMNAL3MBTL1KDM4EHPGD
SCHEMBL10132877 0.79 ALDH1A1 (0.38) ALDH1A1LMNAHTTL3MBTL1KDM4E
Benzamide SCHEMBL424272 0.77 NPSR1 (0.37) CYP19A1NQO2HTTHTR2AHTR2C
SCHEMBL21829005 0.67 MAPT (0.58) ALDH1A1LMNAKDM4EHPGDMEN1

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 CYP19A1 596/4885NQO2 50/4885PIK3CA 1989/4885

“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.