SCHEMBL3980869

SCHEMBL3980869

NC(=O)c1[c]cccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
PARP10 Q53GL7 2/20 0.36
PARP1 P09874 2/20 0.35
ALB P02768 1/20 0.35
KCNN4 O15554 4/20 0.34
ALDH1A1 P00352 2/20 0.33
DGAT1 O75907 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6992716 0.81 ALB (0.41) CES2CES1ALBALDH1A1TSHR
SCHEMBL8979738 0.77 CYP3A4 (0.38) PARP1ALDH1A1POLBCYP3A4MAPT
SCHEMBL10482945 0.77 KDM4E (0.45) PARP1ALDH1A1POLBCYP3A4MAPT
SCHEMBL11516367 0.77 KDM4E (0.45) PARP1ALDH1A1POLBCYP3A4MAPT
SCHEMBL10822473 0.75 PARP1 (0.35) PARP1ALDH1A1POLBCYP3A4MAPT
SCHEMBL9712668 0.75 ALDH1A1 (0.46) CES2CES1ALDH1A1MAPTTSHR
SCHEMBL18706241 0.75 GAA (0.52) CES2CES1ALDH1A1MAPTTDP1
SCHEMBL17977340 0.75 MAOB (0.38) PARP1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL27579614 0.75 ALDH1A1 (0.41) ALDH1A1MAPTTSHRHSD17B10L3MBTL1
SCHEMBL18705835 0.75 POLB (0.39) CES2CES1ALDH1A1POLBTDP1

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-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-12-19 US claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US claimed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP claimed
US-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-12-19 US disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
US-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US disclosed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-03-09 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 (5 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 CES2 566/4885CES1 239/4885PARP10 348/4885
US-20080103141-A1 New compounds GPR119, GPR3, GPR4 CES2 1551/4885CES1 1330/4885PARP10 3610/4885
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 CES2 1066/4885CES1 833/4885PARP10 3410/4885
US-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors F2, F11, KLKB1 CES2 3769/4885CES1 1244/4885PARP10 532/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 CES2 1253/4885CES1 1064/4885PARP10 3463/4885

“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.