SCHEMBL1757748

SCHEMBL1757748

COC(=O)C1=NNC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
SMYD3 Q9H7B4 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL27315111 0.82 GAA (0.53) NPC1RAB9AALDH1A1MAPTRXFP1
SCHEMBL13938473 0.78 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTRXFP1
SCHEMBL337724 0.75 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTRXFP1
SCHEMBL5201218 0.74 SMYD3 (0.44) NPC1RAB9AALDH1A1MAPTRXFP1
SCHEMBL31458552 0.72
SCHEMBL10045647 0.71 LMNA (0.44) NPC1RAB9AALDH1A1MAPTRXFP1
SCHEMBL10762089 0.70 RAB9A (0.38) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL8710562 0.69 NPSR1 (0.35) ALDH1A1L3MBTL1
SCHEMBL21340604 0.69 ALDH1A1 (0.57) NPC1RAB9AALDH1A1MAPTRXFP1
SCHEMBL13779949 0.67 ALDH1A1 (0.59) NPC1RAB9AALDH1A1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800869-B2 Use of 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid, 1-methyl 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid and 1-alkyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid for improving growth performance in plants Advanced Crop Chem LLP (US) 2023-10-31 US disclosed
US-20220174953-A1 USE OF 6-OXO-1,4,5,6-TETRAHYDROPYRIDIZIN-3-CARBOXYLIC ACID, 1-METHYL 6-OXO-1,4,5,6-TETRAHYDROPYRIDIZIN-3-CARBOXYLIC ACID AND 1-AKLYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID FOR IMPROVING GROWTH PERFORMANCE IN PLANTS Advanced Crop Chem LLP (US) 2022-06-09 US disclosed
US-20220174953-A1 USE OF 6-OXO-1,4,5,6-TETRAHYDROPYRIDIZIN-3-CARBOXYLIC ACID, 1-METHYL 6-OXO-1,4,5,6-TETRAHYDROPYRIDIZIN-3-CARBOXYLIC ACID AND 1-AKLYL-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID FOR IMPROVING GROWTH PERFORMANCE IN PLANTS Advanced Crop Chem LLP (US) 2022-06-09 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed
US-5883090-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-16 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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 NPC1 1567/4885RAB9A 2964/4885ALDH1A1 170/4885
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 NPC1 1905/4885RAB9A 2524/4885ALDH1A1 1069/4885

“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.