SCHEMBL3342685

SCHEMBL3342685

O=C1Nc2cc(Cl)ccc2OC(c2ccccc2)C1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALB P02768 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL4968241 0.83 CA2 (0.53) HSD17B10POLBTP53SMN1; SMN2KMT2A
SCHEMBL14367228 0.82 PARP1 (0.56) RETKDRHSD17B10POLBTP53
SCHEMBL3344870 0.82 PARP1 (0.56) RETKDRHSD17B10POLBTP53
SCHEMBL3346129 0.82 PARP1 (0.56) RETKDRHSD17B10POLBTP53
SCHEMBL4903088 0.82 PARP1 (0.56) RETKDRHSD17B10POLBTP53
SCHEMBL4897648 0.80 SMN1; SMN2 (0.54) HSD17B10POLBSMN1; SMN2LMNAMEN1
SCHEMBL3341036 0.80 SMN1; SMN2 (0.54) HSD17B10POLBSMN1; SMN2LMNAMEN1
SCHEMBL3353833 0.75 HSD17B10 (0.49) HSD17B10POLBTP53SMN1; SMN2USP2
SCHEMBL5670852 0.73 PARP1 (0.60) KDRHSD17B10POLBTP53SMN1; SMN2
SCHEMBL5987560 0.73 HSD17B10 (0.46) HSD17B10POLBTP53SMN1; SMN2PARP1

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 9 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
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP 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
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO 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 RET 4035/4885KDR 4764/4885HSD17B10 512/4885
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 RET 4247/4885KDR 3672/4885HSD17B10 1589/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP RET 3941/4885KDR 4773/4885HSD17B10 655/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 RET 116/4885KDR 2171/4885HSD17B10 917/4885

“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.