Sugi Predict

Sugi Predict / Compounds / SCHEMBL10132618

SCHEMBL10132618

SCHEMBL10132618

COc1cc2c(ccc3c4ccc5c(c4c(=O)n(C)c23)OCO5)c(-c2ccccc2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.48
▸ NQO2 P16083 2/20 0.48
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ PABPC1 P11940 1/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39

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 0.98 CYP19A1 (0.47) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL10132638 0.92 CYP19A1 (0.47) CYP19A1NQO2TDP1CYP3A4CYP2C9
SCHEMBL10132627 0.85 CYP19A1 (0.47) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL10132722 0.84 CYP19A1 (0.49) CYP19A1NQO2HCRTR1HCRTR2TDP1
SCHEMBL10163171 0.83 CYP19A1 (0.41) CYP19A1NQO2CYP3A4KCNH2MAPT
SCHEMBL10163291 0.81 ALDH1A1 (0.40) CYP19A1NQO2CYP3A4KCNH2MAPT
SCHEMBL10132697 0.81 CYP19A1 (0.41) CYP19A1NQO2TDP1CYP3A4MEN1
SCHEMBL10132870 0.80 CYP19A1 (0.56) CYP19A1NQO2TDP1CYP2C19MEN1
SCHEMBL10132646 0.79 CYP19A1 (0.40) CYP19A1NQO2TDP1CYP3A4MEN1
SCHEMBL10161780 0.78 CYP19A1 (0.37) CYP19A1NQO2CYP3A4HTR2ARAB9A

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.