SCHEMBL8270577

SCHEMBL8270577

CCC(=O)c1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.65
CFTR P13569 1/20 0.58
RAB9A P51151 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
CYP1A2 P05177 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48

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
SCHEMBL9361658 0.87 MGAM (0.61) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL9360308 0.84 MGAM (0.58) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL9700485 0.84 MGAM (0.61) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL4817449 0.83 MGAM (0.65) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL21296699 0.83 MGAM (0.65) MGAMCFTRRAB9AMAP4K4CSNK1G2
SCHEMBL529904 0.83 MGAM (0.65) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL5160063 0.82 MGAM (0.55) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL5363975 0.82 MGAM (0.68) MGAMCFTRRAB9ALMNAMAP4K4
SCHEMBL5160062 0.81 MGAM (0.58) MGAMCFTRRAB9ALMNAPOLB
SCHEMBL5161544 0.81 MGAM (0.58) MGAMCFTRRAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 US disclosed
CN-103508930-A Bis(aminodithioformate)-1,3-propane diester compound, and synthesis method, pharmaceutical composition and use thereof UNIV BEIJING 2014-01-15 CN disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
US-20120316105-A1 Polymyxin Derivates Useful As Antibacterial Agents PFIZER INC. 2012-12-13 US disclosed
CN-102532141-A (1,2,4)-triazolo-(4,3-b) (1,2,4)-triazine compounds, as well as preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2012-07-04 CN disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 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 (8 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-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 MGAM 3241/4885CFTR 1079/4885RAB9A 1516/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 MGAM 2725/4885CFTR 1684/4885RAB9A 1724/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 MGAM 2725/4885CFTR 1684/4885RAB9A 1724/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 MGAM 3663/4885CFTR 4751/4885RAB9A 2836/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 MGAM 2870/4885CFTR 1475/4885RAB9A 1811/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MGAM 3801/4885CFTR 1273/4885RAB9A 623/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA MGAM 3801/4885CFTR 1273/4885RAB9A 623/4885
US-20120316105-A1 Polymyxin Derivates Useful As Antibacterial Agents NPEPPS, MDN1, PNKP MGAM 115/4885CFTR 1608/4885RAB9A 3754/4885

“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.