Sugi Predict

Sugi Predict / Compounds / SCHEMBL4486299

SCHEMBL4486299

SCHEMBL4486299

[CH2]c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HSD17B1 P14061 5/20 0.40
▸ HSD17B2 P37059 5/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.37
▸ BAD Q92934 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL27775798 0.85 HSD17B1 (0.43) TAAR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL2095994 0.84 TAAR1 (0.54) TAAR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL26821707 0.83 TAAR1 (0.56) AGXTTAAR1ESR2HTR1AHTR7
SCHEMBL28269989 0.83 TAAR1 (0.56) AGXTTAAR1ESR2HTR1AHTR7
SCHEMBL95329 0.80 ALDH1A1 (0.50) AGXTTAAR1ESR2HSD17B1HSD17B2
SCHEMBL2093613 0.80 HSD17B1 (0.44) TAAR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL10227328 0.78 TAAR1 (0.52) AGXTTAAR1ESR2HTR1AHTR7
SCHEMBL777750 0.78 TAAR1 (0.71) AGXTTAAR1ESR2HTR1AHTR7
SCHEMBL13685090 0.78 MAOA (0.48) AGXTHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL2091157 0.77 CYP1A2 (0.54) TAAR1HSD17B1HSD17B2HTR2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-7507815-B2 Succinoylamino lactams as inhibitors of a-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-24 — — US disclosed
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-27 — — US disclosed
US-7304056-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-7304055-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 — — US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-23 — — US disclosed
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-11-16 — — US disclosed
US-7101870-B2 Succinoylamino lactams as inhibitors of A-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-05 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
US-6962913-B2 Benzo-1,4-diazepin-2-ones as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-08 — — US disclosed
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-03 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-6794381-B1 BETA -PEPTIDE INHIBITOR PREVENTS NEUROLOGICAL DEPOSITS OF AMYLOID PRECURSOR PROTEIN; ALZHEIMER'S DISEASE AND DOWN'S SYNDROME TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2004-09-21 — — US disclosed
CN-1311779-A Succinoylamino lactams as inhibitors and as A beta protein production DU PONT PHARM CO (US) 2001-09-05 — — CN 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 (5 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AGXT 2967/4885TAAR1 364/4885ESR2 339/4885
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BACE1, APH1A, APP AGXT 387/4885TAAR1 4814/4885ESR2 2864/4885
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BACE1, APH1A, APP AGXT 387/4885TAAR1 4814/4885ESR2 2864/4885
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP AGXT 387/4885TAAR1 4814/4885ESR2 2864/4885
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP AGXT 387/4885TAAR1 4814/4885ESR2 2864/4885

“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.