SCHEMBL4731077

SCHEMBL4731077

CCOc1ncccc1C(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 1/20 0.56
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL16453663 0.86 L3MBTL1 (0.58) NPC1TSHRL3MBTL1MAPK1ALDH1A1
SCHEMBL12113209 0.84 NPC1 (0.61) NPC1TSHRL3MBTL1MAPK1GAA
SCHEMBL123523 0.84 L3MBTL1 (0.64) NPC1TSHRL3MBTL1MAPK1GAA
SCHEMBL9428921 0.84 LMNA (0.50) NPC1TSHRL3MBTL1MAPK1ALDH1A1
SCHEMBL17063917 0.83 NPC1 (0.64) NPC1TSHRL3MBTL1GAAALDH1A1
SCHEMBL4724490 0.83 L3MBTL1 (0.58) NPC1TSHRL3MBTL1MAPK1GAA
SCHEMBL5227668 0.83 ALDH1A1 (0.44) NPC1TSHRL3MBTL1MAPK1GAA
SCHEMBL6609846 0.82 TDP1 (0.47) NPC1TSHRL3MBTL1MAPK1GAA
SCHEMBL1313733 0.81 L3MBTL1 (0.74) NPC1L3MBTL1MAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3898462 0.81 TDP1 (0.46) NPC1TSHRL3MBTL1MAPK1GAA

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-8481574-B2 (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2013-07-09 US disclosed
US-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
WO-2008063781-A2 CHEMICAL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed
US-3992388-A INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-11-16 US disclosed
US-3987172-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-10-19 US disclosed
US-3944524-A ORAL HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-03-16 US disclosed
US-3933830-A FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST PFIZER INC. (US) 1976-01-20 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 (1 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-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 NPC1 558/4885TSHR 497/4885L3MBTL1 2413/4885

“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.