SCHEMBL2453892

SCHEMBL2453892

CCCC([O])N(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7015257 0.83 DNM1 (0.36) FDPSTDP1TSHR
SCHEMBL7007960 0.81 LCK (0.40) FDPS
SCHEMBL6384338 0.78 GABRR1 (0.32) FDPS
SCHEMBL316766 0.75
SCHEMBL2842766 0.73
SCHEMBL11319866 0.72 TSHR (0.31) TSHR
SCHEMBL11826238 0.71
SCHEMBL5949179 0.69 FDPS (0.32) FDPSTSHR
SCHEMBL6449346 0.69 FDPS (0.32) FDPSTSHR
SCHEMBL10887393 0.69 TSHR (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US claimed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US claimed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP claimed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US claimed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
US-20150037667-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND SECONDARY BATTERY USING SAME NEC CORPORATION (JP) 2015-02-05 US disclosed
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
US-5977130-A CARDIOVASCULAR DISORDERS TAIHO PHARMEUTICAL CO., LTD. (JP) 1999-11-02 US disclosed
EP-0523959-B1 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON CATALYTIC CHEM IND (JP) 1999-10-13 EP disclosed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
EP-0815859-A1 INTIMAL THICKENING INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-01-07 EP disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed
US-5359056-A Lightfastness, solvent solubility NIPPON SHOKUBAI CO., LTD. (JP) 1994-10-25 US disclosed
EP-0523959-A2 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON SHOKUBAI CO., LTD. (JP) 1993-01-20 EP 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 FDPS 4588/4885CHRM1 3735/4885AKR1A1 721/4885
US-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB FDPS 4178/4885CHRM1 2739/4885AKR1A1 1336/4885

“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.