SCHEMBL3869644

SCHEMBL3869644

COCC(=O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
HPGD P15428 3/20 0.54
PARP1 P09874 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CXCR3 P49682 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 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
SCHEMBL11753942 0.83 ERCC5 (0.53) ERCC5FEN1HPGDPARP1MEN1
SCHEMBL8427325 0.81 TPMT (0.46) HPGDMEN1KMT2ARAB9AALDH1A1
SCHEMBL2057210 0.81 ERCC5 (0.63) ERCC5FEN1HPGDPARP1MEN1
SCHEMBL30409701 0.81 ERCC5 (0.63) ERCC5FEN1HPGDPARP1MEN1
SCHEMBL2536519 0.80 ERCC5 (0.50) ERCC5FEN1HPGDPARP1MEN1
SCHEMBL7285469 0.80 ESR1 (0.53) PARP1RAB9ANPC1ALDH1A1GAA
SCHEMBL1210113 0.80 CTNNB1 (0.58) HPGDPARP1MEN1KMT2ARAB9A
SCHEMBL16952696 0.80 HPGD (0.48) ERCC5FEN1HPGDPARP1MEN1
SCHEMBL11267206 0.80 KMT2A (0.47) HPGDKMT2ARAB9ACYP1A2CYP2C9
SCHEMBL16994152 0.80 MEN1 (0.46) HPGDMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942523-B Benzofuran and benzofuran coumarin derivatives, and preparation method and application thereof 华东师范大学 2023-06-09 CN disclosed
CN-103987706-A Pyridone derivative and medicine containing same KAKEN PHARMA CO LTD 2014-08-13 CN disclosed
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
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
CN-101228158-A N-amide derivatives of 8-azabicyclo[3.2.1]oct-3-yl as ccr1 antagonists ALMIRALL LAB (ES) 2008-07-23 CN disclosed
WO-2008063781-A2 CHEMICAL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed
EP-0203791-B1 SPIRO-IMIDAZOLIDINES AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1989-09-13 EP disclosed
EP-0203791-A1 Spiro-imidazolidines as aldose reductase inhibitors PFIZER INC. (US) 1986-12-03 EP disclosed
US-4575507-A COMPLICATIONS OF DIABETES PFIZER INC. (US) 1986-03-11 US disclosed
US-4251546-A Process for killing internal helminths using certain 1,1-bis-(2-substituted-3-nitrophenyl)alkane or alkylene derivatives ICI AUSTRALIA LIMITED (AU) 1981-02-17 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-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ERCC5 3626/4885FEN1 4847/4885HPGD 2689/4885
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 ERCC5 1858/4885FEN1 1133/4885HPGD 1652/4885

“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.