Sugi Predict

Sugi Predict / Compounds / SCHEMBL3800733

SCHEMBL3800733

SCHEMBL3800733

CCCCCc1cccnc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ BID P55957 3/20 0.39
▸ MCL1 Q07820 3/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ BCL2L1 Q07817 2/20 0.39
▸ BAK1 Q16611 2/20 0.39
▸ KAT8 Q9H7Z6 2/20 0.39
▸ SAE1 Q9UBE0 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ KAT2A Q92830 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KAT5 Q92993 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ NR1H2 P55055 1/20 0.38

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
SCHEMBL7857178 0.98 LIPG (0.44) TDP1L3MBTL1LIPGBIDMCL1
SCHEMBL7019677 0.95 CYP3A4 (0.40) TDP1L3MBTL1LIPGBIDMCL1
SCHEMBL7089971 0.88 GRM5 (0.42) KDM4EMAPTHSD17B10
SCHEMBL9466495 0.83 THRA (0.41) TDP1L3MBTL1LIPGBIDMCL1
SCHEMBL10968269 0.83 TRIM24 (0.35) L3MBTL1KDM4EMAPT
SCHEMBL6115316 0.82 TRIM24 (0.39) L3MBTL1KDM4EMAPT
SCHEMBL9070356 0.82 LIPG (0.44) TDP1L3MBTL1LIPGBIDMCL1
Benzene SCHEMBL11824212 0.79 TRIM24 (0.37) L3MBTL1KDM4EMAPT
SCHEMBL28102473 0.78 CYP2D6 (0.40) TDP1L3MBTL1LIPGPPARAKAT2B
SCHEMBL18995128 0.77 TKT (0.37) L3MBTL1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 — — US disclosed
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 — — EP disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 — — US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 — — US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 — — US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 — — US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 — — 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 (3 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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 TDP1 3018/4885L3MBTL1 4881/4885LIPG 2065/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 TDP1 3018/4885L3MBTL1 4881/4885LIPG 2065/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 TDP1 3018/4885L3MBTL1 4881/4885LIPG 2065/4885

“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.