SCHEMBL4488129

SCHEMBL4488129

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.59
AGXT P21549 1/20 0.51
DHODH Q02127 1/20 0.45
MAOB P27338 1/20 0.44
KDM1A O60341 1/20 0.42
BACE1 P56817 1/20 0.42
TDP2 O95551 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GLO1 Q04760 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL2095276 0.86 NOTUM (0.50) KIF11MAOBKDM1A
SCHEMBL26821713 0.85 KIF11 (0.73) KIF11AGXTDHODHMAOBKDM1A
SCHEMBL16068255 0.81 KIF11 (0.67) KIF11AGXTDHODHMAOBKDM1A
SCHEMBL5423429 0.80 MAOB (0.56) KIF11AGXTMAOBKDM1ABACE1
SCHEMBL27775798 0.80 HSD17B1 (0.43)
SCHEMBL2089685 0.78 KIF11 (0.61) KIF11MAOB
SCHEMBL28128350 0.78 PTPN1 (0.62) KIF11AGXTDHODHMAOBPTPN1
SCHEMBL4486299 0.77 AGXT (0.47) AGXT
SCHEMBL97209 0.76 TSHR (0.54) KDM1A
SCHEMBL23748371 0.76 KIF11 (0.59) KIF11AGXTDHODHMAOBPTPN1

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-7304055-B2 Succinoylamino lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 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-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 KIF11 3946/4885AGXT 2967/4885DHODH 301/4885
US-20060264417-A1 Succinoylamino lactams as inhibitors of a-beta protein production BACE1, APH1A, APP KIF11 4464/4885AGXT 387/4885DHODH 1304/4885
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BACE1, APH1A, APP KIF11 4464/4885AGXT 387/4885DHODH 1304/4885
US-20050245501-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP KIF11 4464/4885AGXT 387/4885DHODH 1304/4885
US-20060258638-A1 Succinoylamino lactams as inhibitors of A-beta protein production BACE1, APH1A, APP KIF11 4464/4885AGXT 387/4885DHODH 1304/4885

“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.