SCHEMBL4308659

SCHEMBL4308659

CC=CNC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
GAA P10253 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL15499975 1.00 NPC1 (0.63) NPC1RAB9AHDAC3CA12CA1
SCHEMBL9539569 1.00 NPC1 (0.63) NPC1RAB9AHDAC3CA12CA1
SCHEMBL289886 0.83 NPC1 (0.57) NPC1RAB9AHDAC3CA12CA1
SCHEMBL23325380 0.82 NPC1 (0.53) NPC1RAB9AHDAC3CA12CA1
SCHEMBL5912481 0.79 NPC1 (0.63) NPC1RAB9AHDAC3CA12CA1
SCHEMBL11145084 0.79 NPC1 (0.63) NPC1RAB9AHDAC3CA12CA1
SCHEMBL11145105 0.79 NPC1 (0.63) NPC1RAB9AHDAC3CA12CA1
SCHEMBL6551872 0.79 RAB9A (0.58) NPC1RAB9AHDAC3CA12CA1
SCHEMBL17188462 0.79 RAB9A (0.58) NPC1RAB9AHDAC3CA12CA1
SCHEMBL13778457 0.79 RAB9A (0.58) NPC1RAB9AHDAC3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO claimed
CN-118653158-A Synthesis and application of 4-oxo-oxazoline compound 西北师范大学 2024-09-17 CN disclosed
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
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
EP-1048457-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2004-12-15 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
US-6455224-B1 SUPPORT WITH HYDROPHILIC SURFACE AND PHOTOSENSITIVE LAYER CONTAINING INFRARED ABSORBENT WHICH CHANGES FROM HYDROPHILIC TO HYDROPHOBIC BY HEAT AND HYDROPHILIC POLYMER HAVING FUNCTIONAL GROUP RENDERING LAYER WATER DEVELOPABLE FUJI PHOTO FILM CO., LTD. (JP) 2002-09-24 US disclosed
EP-1048457-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4203896-A WITH MERCURIC ACETATE AND ACETIC ACID, ACIDIC HYDROLYSIS OF N-PROPENYL GROUP ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4144232-A Substituted azetidin-2-one antibiotics ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 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-20060241299-A1 Process for making spirolactone compounds HSD17B7, SDHB, SDHA NPC1 2071/4885RAB9A 2529/4885HDAC3 2951/4885
US-20080171888-A1 Process for making spirolactone compounds HSD17B7, CYP17A1, REN NPC1 995/4885RAB9A 3140/4885HDAC3 1986/4885
US-20060014950-A1 Process for Making Spirolactone Compounds HSD17B7, CYP17A1, REN NPC1 995/4885RAB9A 3140/4885HDAC3 1986/4885

“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.