Sugi Predict

Sugi Predict / Compounds / SCHEMBL13944293

SCHEMBL13944293

SCHEMBL13944293

COc1c2c(c(OC(c3ccccc3)c3ccccc3)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HCRTR2 O43614 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL13943887 0.91 KDM4E (0.40) KDM4EHKDC1MAPTLMNATHRB
SCHEMBL4157269 0.87 KDM4E (0.37) KDM4EHKDC1MAPTLMNAHCRTR2
SCHEMBL13944292 0.85 HCRTR2 (0.37) KDM4EHKDC1MAPTLMNATHRB
SCHEMBL13943842 0.84 KDM4E (0.35) KDM4EHKDC1MAPTLMNASLC6A3
SCHEMBL4150151 0.82 CASP3 (0.41) MAPTLMNATHRBHTTSLC6A3
SCHEMBL13944337 0.79 KDM4E (0.35) KDM4EHKDC1MAPTLMNATHRB
SCHEMBL12378296 0.77 TACR1 (0.35) KDM4ELMNAMMP1MMP2MMP9
SCHEMBL14260137 0.76 KDM4E (0.45) KDM4EHKDC1MAPTLMNATHRB
SCHEMBL4155374 0.76 KDM4E (0.45) KDM4EHKDC1MAPTLMNATHRB
SCHEMBL4162879 0.76 CASP3 (0.40) LMNAHTTSLC6A3MMP1MMP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US 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 (2 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 KDM4E 1594/4885HKDC1 4638/4885MAPT 4602/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE KDM4E 1618/4885HKDC1 3811/4885MAPT 2025/4885

“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.