SCHEMBL1312899

SCHEMBL1312899

O=C(O)c1cccc2c1ncc1cccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 11/20 0.49
HPGD P15428 5/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 7/20 0.44
RAB9A P51151 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
CHEK1 O14757 1/20 0.38
LIMK1 P53667 1/20 0.38
MAPK14 Q16539 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL27789924 0.81 HPGD (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8569861 0.74 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL30963686 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3792096 0.74 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL3792094 0.74 LMNA (0.41) KDM4EALDH1A1MAPTRAB9ATDP1
SCHEMBL6311086 0.71 PTGS1 (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL16246424 0.69 EGLN1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL10733133 0.69 KDM4E (0.55) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL15808993 0.68 EGLN1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL20294410 0.68 KDM4E (0.44) KDM4EALDH1A1GAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-11-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function UNIVERSITY OF SOUTHERN CALIFORNIA 2006-10-19 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-20110275646-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, LIPG KDM4E 3815/4885ALDH1A1 1365/4885HPGD 763/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 KDM4E 3554/4885ALDH1A1 1558/4885HPGD 864/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 KDM4E 3554/4885ALDH1A1 1558/4885HPGD 864/4885
US-20060235034-A1 Novel compounds for treatment of cancer and disorders associated with angiogenesis function VEGFA, TEK, MCL1 KDM4E 3554/4885ALDH1A1 1558/4885HPGD 864/4885

“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.