Sugi Predict

Sugi Predict / Compounds / SCHEMBL10132627

SCHEMBL10132627

SCHEMBL10132627

COc1cc2c(ccc3c4ccc5c(c4c(=O)n(C)c23)OCO5)c(Cc2ccccc2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.47
▸ NQO2 P16083 2/20 0.47
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ EDNRB P24530 1/20 0.40
▸ EDNRA P25101 1/20 0.40
▸ PDE5A O76074 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL10132618 0.85 CYP19A1 (0.48) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL422412 0.84 CYP19A1 (0.47) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL10132638 0.79 CYP19A1 (0.47) CYP19A1NQO2TDP1EDNRBEDNRA
SCHEMBL10132722 0.79 CYP19A1 (0.49) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL10132870 0.78 CYP19A1 (0.56) CYP19A1NQO2TDP1ALDH1A1KDM4E
SCHEMBL10132266 0.73 ALDH1A1 (0.51) TDP1EDNRBEDNRAALDH1A1KDM4E
SCHEMBL27899338 0.70 TDP1 (0.69) CYP19A1NQO2TDP1ALDH1A1KDM4E
SCHEMBL31425123 0.70 TDP1 (0.69) CYP19A1NQO2TDP1ALDH1A1KDM4E
SCHEMBL10633372 0.68 TDP1 (0.57) CYP19A1NQO2TDP1EDNRBALDH1A1
SCHEMBL10132623 0.68 ALDH1A1 (0.42) TDP1EDNRBEDNRAALDH1A1KDM4E

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 50/4885HCRTR1 1523/4885

“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.