SCHEMBL2096261

SCHEMBL2096261

COC(=O)Nc1cccc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.68
TSHR P16473 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
ALDH1A1 P00352 4/20 0.67
FAAH O00519 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 4/20 0.66
NPC1 O15118 4/20 0.66
NLRP3 Q96P20 1/20 0.66
PKM P14618 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MITF O75030 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 2/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.60
MTNR1B P49286 2/20 0.60
MTNR1A P48039 1/20 0.59

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
SCHEMBL2096258 0.88 TP53 (0.62) TP53TSHRRXFP1ALDH1A1RAB9A
SCHEMBL31040569 0.87 TP53 (0.87) TP53TSHRRXFP1ALDH1A1MAPK1
SCHEMBL4893387 0.87 TP53 (0.87) TP53TSHRRXFP1ALDH1A1MAPK1
SCHEMBL3983838 0.86 ALDH1A1 (0.73) TP53TSHRRXFP1ALDH1A1FAAH
SCHEMBL716889 0.86 MAPK1 (0.62) ALDH1A1FAAHCYP3A4MAPK1RAB9A
SCHEMBL31728556 0.85 RAB9A (0.71) TP53TSHRRXFP1ALDH1A1RAB9A
SCHEMBL2095227 0.85 RAB9A (0.71) TP53TSHRRXFP1ALDH1A1RAB9A
SCHEMBL2095225 0.85 TP53 (0.68) TP53TSHRRXFP1ALDH1A1RAB9A
SCHEMBL29875454 0.85 MTNR1A (0.79) TP53TSHRRXFP1ALDH1A1RAB9A
SCHEMBL171425 0.85 MTNR1A (0.79) TP53TSHRRXFP1ALDH1A1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081481-B2 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY (US) 2006-07-25 US claimed
US-20040102521-A1 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY 2004-05-27 US claimed
EP-1289940-A2 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-03-12 EP claimed
WO-2001092213-A2 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2001-12-06 WO claimed
CN-102002014-B Preparation method of substituted 1,3,4-diazole-2-(3H)-ketone JIANGSU YANGNONG CHEMICAL CO 2012-12-12 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-102002014-A Preparation method of substituted 1,3,4-diazole-2-(3H)-ketone JIANGSU YANGNONG CHEMICAL CO 2011-04-06 CN disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7081481-B2 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY (US) 2006-07-25 US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-20040102521-A1 Excitatory amino acid receptor modulators ELI LILLY AND COMPANY 2004-05-27 US disclosed
EP-1289940-A2 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001092213-A2 EXCITATORY AMINO ACID RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2001-12-06 WO disclosed
EP-0032733-B1 PROCESS FOR PREPARING POLYMETHYLENE POLYPHENYL POLYCARBAMATES MITSUI TOATSU CHEMICALS, Inc. (JP) 1984-06-13 EP disclosed
US-4319018-A IN ACID CATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1982-03-09 US disclosed
EP-0032733-A1 Process for preparing polymethylene polyphenyl polycarbamates MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-07-29 EP disclosed
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 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 (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-20040102521-A1 Excitatory amino acid receptor modulators GRM1, GRM2, GRIN1 TP53 4884/4885TSHR 443/4885RXFP1 355/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TP53 4732/4885TSHR 162/4885RXFP1 494/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TP53 4754/4885TSHR 634/4885RXFP1 140/4885

“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.