Sugi Predict

Sugi Predict / Compounds / SCHEMBL10132722

SCHEMBL10132722

SCHEMBL10132722

COc1cc2c(-c3ccc(-c4ccccc4)cc3)cc3c4ccc5c(c4c(=O)n(C)c3c2cc1OC)OCO5

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.49
▸ NQO2 P16083 2/20 0.49
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ HCRTR1 O43613 3/20 0.43
▸ HCRTR2 O43614 3/20 0.43
▸ RET P07949 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 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
SCHEMBL422412 0.86 CYP19A1 (0.47) CYP19A1NQO2CYP1A2HCRTR1HCRTR2
SCHEMBL10132618 0.84 CYP19A1 (0.48) CYP19A1NQO2CYP1A2HCRTR1HCRTR2
SCHEMBL10163306 0.81 RET (0.45) CYP19A1NQO2RETMEN1KMT2A
SCHEMBL10132870 0.81 CYP19A1 (0.56) CYP19A1NQO2TDP1CDK2ALOX5
SCHEMBL10132627 0.79 CYP19A1 (0.47) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL10132858 0.78 RET (0.41) RETTDP1
SCHEMBL10162991 0.78 RET (0.47) CYP19A1NQO2RETMEN1KMT2A
SCHEMBL10132638 0.77 CYP19A1 (0.47) CYP19A1NQO2CYP1A2TDP1MEN1
SCHEMBL10132743 0.77 RET (0.45) CYP19A1NQO2RETMEN1KMT2A
SCHEMBL10132288 0.73 BAD (0.51) CYP19A1NQO2CYP1A2CYP1B1HCRTR1

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 50/4885CYP1A2 127/4885

“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.