SCHEMBL3344892

SCHEMBL3344892

O=C1Nc2cc(F)ccc2CC(c2ccccc2)C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 3/20 0.39
LDHA P00338 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B2 P37059 3/20 0.36

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
SCHEMBL14260858 1.00 KDM4E (0.40) KDM4EUSP2ESR1POLBTHRB
SCHEMBL8338572 1.00 KDM4E (0.40) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3343463 0.86 ALDH1A1 (0.40) MAOBLDHAALDH1A1TP53GAA
SCHEMBL4117171 0.84 TP53 (0.39) HSD17B10MAOBLDHAALDH1A1TP53
SCHEMBL14260868 0.84 TP53 (0.39) HSD17B10MAOBLDHAALDH1A1TP53
SCHEMBL14260855 0.81 ALDH1A1 (0.39) LDHAALDH1A1HSD17B2AKR1B1
SCHEMBL14260860 0.81 ALDH1A1 (0.53) KDM4EPOLBALOX15RECQLALDH1A1
SCHEMBL3340914 0.81 ALDH1A1 (0.39) LDHAALDH1A1HSD17B2AKR1B1
SCHEMBL14260867 0.78 MAOB (0.33) MAOBLDHAALDH1A1TP53GAA
SCHEMBL14260854 0.78 ALDH1A1 (0.35) MAOBLDHAALDH1A1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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 (4 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B KDM4E 4277/4885USP2 1724/4885ESR1 4190/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 KDM4E 2187/4885USP2 3638/4885ESR1 2814/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP KDM4E 4298/4885USP2 1670/4885ESR1 4317/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 KDM4E 1937/4885USP2 4502/4885ESR1 1589/4885

“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.