SCHEMBL4281532

SCHEMBL4281532

O/N=C1\CCCc2[nH]c3ccccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HTR5A P47898 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RB1 P06400 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4281540 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HTR5ANISCH
SCHEMBL2298349 0.79 PTGES (0.51) KDM4EALDH1A1MAPTGFERLMNA
SCHEMBL2305408 0.79 KDM4E (0.50) KDM4EALDH1A1MAPTHTR2AHTR2C
SCHEMBL13746901 0.79 MAPT (0.57) KDM4EALDH1A1MAPTHTR2AHTR2C
SCHEMBL2298348 0.79 PTGES (0.51) KDM4EALDH1A1MAPTGFERLMNA
SCHEMBL2305405 0.79 KDM4E (0.50) KDM4EALDH1A1MAPTHTR2AHTR2C
SCHEMBL1003568 0.79 MAPT (0.47) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL1003566 0.79 MAPT (0.47) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL31603757 0.78 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HTR5ANISCH
SCHEMBL6502689 0.78 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HTR5ANISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961258-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-30 US disclosed
US-20200270273-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-27 US disclosed
WO-2017109724-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 WO disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
EP-1848426-B1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER FLEMING LTD (GB) 2012-08-01 EP disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
WO-2008065408-A9 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2011-03-03 WO disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
WO-2008065408-A2 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2008-06-05 WO 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 (7 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-20080146644-A1 Tricyclic Cytoprotective Compounds HCRTR1, CDR2, MSR1 KDM4E 4423/4885ALDH1A1 2180/4885SMN1; SMN2 61/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 KDM4E 3928/4885ALDH1A1 804/4885SMN1; SMN2 1087/4885
US-10961258-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, BRAF KDM4E 380/4885ALDH1A1 2165/4885SMN1; SMN2 4671/4885
US-20200270273-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, BRAF KDM4E 380/4885ALDH1A1 2165/4885SMN1; SMN2 4671/4885
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC KDM4E 2849/4885ALDH1A1 290/4885SMN1; SMN2 3920/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 KDM4E 3928/4885ALDH1A1 804/4885SMN1; SMN2 1087/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 KDM4E 4423/4885ALDH1A1 2180/4885SMN1; SMN2 61/4885

“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.