SCHEMBL2895609

SCHEMBL2895609

OCc1ccc(OC(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.42
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
RXRA P19793 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2B Q13224 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
ADAM17 P78536 1/20 0.36
ALKBH1 Q13686 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
ABL1 P00519 1/20 0.35
ATP4A P20648 1/20 0.34

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
SCHEMBL3881359 0.86 MBOAT4 (0.33) MBOAT4HCRTR1HCRTR2
SCHEMBL24667648 0.86 MBOAT4 (0.36) MBOAT4HCRTR1HCRTR2
SCHEMBL103812 0.81 ACACB (0.42) SMN1; SMN2KMT2A
SCHEMBL29974801 0.81 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL29797064 0.81 ACACB (0.42) SMN1; SMN2KMT2A
SCHEMBL18378650 0.81 MBOAT4 (0.45) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL19555693 0.81 MBOAT4 (0.45) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL4535683 0.81 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2RXRAGRIN1
SCHEMBL27847702 0.80 ATM (0.44) MBOAT4HCRTR1HCRTR2NPC1RAB9A
SCHEMBL30106088 0.80 ATM (0.44) MBOAT4HCRTR1HCRTR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462494-A Synthesis method of 5-difluoromethoxy-2-pyridine formaldehyde 南京琦诺医药科技有限公司 2025-02-18 CN claimed
CN-119462494-A Synthesis method of 5-difluoromethoxy-2-pyridine formaldehyde 南京琦诺医药科技有限公司 2025-02-18 CN disclosed
CN-119462494-A Synthesis method of 5-difluoromethoxy-2-pyridine formaldehyde 南京琦诺医药科技有限公司 2025-02-18 CN disclosed
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 CN disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 EP disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 WO disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR MBOAT4 4569/4885HCRTR1 778/4885HCRTR2 740/4885
US-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 MBOAT4 2256/4885HCRTR1 566/4885HCRTR2 731/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 MBOAT4 2256/4885HCRTR1 566/4885HCRTR2 731/4885
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA MBOAT4 3758/4885HCRTR1 2007/4885HCRTR2 2091/4885

“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.