SCHEMBL4302402

SCHEMBL4302402

CC=CNC(=O)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.47
TYK2 P29597 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL9539918 1.00 HPGD (0.53) HPGDSMN1; SMN2POLBTYK2KDM4E
SCHEMBL10725375 0.85 HPGD (0.56) HPGDSMN1; SMN2POLBTYK2KDM4E
SCHEMBL13397914 0.81 HPGD (0.56) HPGDSMN1; SMN2POLBTYK2KDM4E
SCHEMBL21616491 0.81 RAB9A (0.62) HPGDSMN1; SMN2POLBKDM4ENPC1
SCHEMBL16358839 0.79 HPGD (0.55) HPGDSMN1; SMN2POLBTYK2KDM4E
SCHEMBL14786453 0.79 HPGD (0.55) HPGDSMN1; SMN2POLBTYK2KDM4E
SCHEMBL6597631 0.79 HPGD (0.55) HPGDSMN1; SMN2POLBTYK2KDM4E
SCHEMBL18586565 0.79 POLB (0.35) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL482540 0.78 HPGD (0.53) HPGDSMN1; SMN2POLBTYK2NPC1
SCHEMBL11663064 0.76 HPGD (0.54) HPGDSMN1; SMN2POLBTYK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482449-B2 Process for making spirolactone compounds MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-20080171888-A1 Process for making spirolactone compounds MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
US-7368569-B2 Process for making spirolactone compounds MERCK & CO., INC. (US) 2008-05-06 US disclosed
CN-1894256-A Process for preparing spirolactone compounds MERCK & CO INC (US) 2007-01-10 CN disclosed
US-20060241299-A1 Process for making spirolactone compounds VOLANTE RALPH P 2006-10-26 US disclosed
US-20060014950-A1 Process for Making Spirolactone Compounds MERCK SHARP & DOHME CORP. 2006-01-19 US disclosed
EP-1558605-A2 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004104009-A1 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS MERCK & CO., INC. (US) 2004-12-02 WO disclosed
WO-2004037170-A2 PROCESS FOR MAKING SPIROLACTONE COMPOUNDS MERCK & CO., INC. (US) 2004-05-06 WO disclosed
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 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 (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-20060241299-A1 Process for making spirolactone compounds HSD17B7, SDHB, SDHA HPGD 756/4885SMN1; SMN2 1700/4885POLB 2615/4885
US-20080171888-A1 Process for making spirolactone compounds HSD17B7, CYP17A1, REN HPGD 126/4885SMN1; SMN2 3962/4885POLB 2406/4885
US-20060014950-A1 Process for Making Spirolactone Compounds HSD17B7, CYP17A1, REN HPGD 126/4885SMN1; SMN2 3962/4885POLB 2406/4885

“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.