SCHEMBL5024437

SCHEMBL5024437

CCc1cc(F)cc2c1OCOC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK8 P45983 1/20 0.47
KDM4E B2RXH2 3/20 0.46
CXCR5 P32302 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TSHR P16473 3/20 0.39
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
LTC4S Q16873 1/20 0.38
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12844622 0.88 GALR3 (0.44) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL3163857 0.83 ALDH1A1 (0.44) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL1467720 0.83 MAPK8 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL18885134 0.83 ALDH1A1 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL418824 0.82 ALDH1A1 (0.50) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL5018871 0.82 GALR3 (0.42) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL12775849 0.82 GALR3 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
Hydrochloric Acid SCHEMBL2460792 0.81 MAPK8 (0.46) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL18317380 0.81 ALDH1A1 (0.55) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL1620477 0.79 SMPD1 (0.45) GALR3NR2F2ALDH1A1TDP1MAPK8

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170216283-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2017-08-03 US disclosed
US-20170216283-A1 COMPOUNDS AND USES ASTRAZENECA AB (SE) 2017-08-03 US disclosed
US-9657001-B2 Compounds and uses ASTRAZENECA AB (SE) 2017-05-23 US disclosed
US-9657001-B2 Compounds and uses ASTRAZENECA AB (SE) 2017-05-23 US disclosed
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2016-12-22 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 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 (10 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-20170216283-A1 COMPOUNDS AND USES LTC4S, LTB4R2, LTA4H GALR3 769/4885NR2F2 3313/4885ALDH1A1 268/4885
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 GALR3 3884/4885NR2F2 2379/4885ALDH1A1 1937/4885
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 GALR3 2635/4885NR2F2 1929/4885ALDH1A1 3749/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GALR3 4680/4885NR2F2 4113/4885ALDH1A1 4062/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 GALR3 889/4885NR2F2 972/4885ALDH1A1 172/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 GALR3 4213/4885NR2F2 3167/4885ALDH1A1 1564/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 GALR3 4430/4885NR2F2 747/4885ALDH1A1 1655/4885

“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.