SCHEMBL876037

SCHEMBL876037

N/C(=N\O)C1(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.44
HSD11B1 P28845 2/20 0.42
HDAC4 P56524 3/20 0.39
PNMT P11086 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
HTR3B O95264 1/20 0.37
PLAU P00749 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SPHK1 Q9NYA1 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL838361 1.00 AKR1C1 (0.44) AKR1C1HSD11B1HDAC4PNMTMAOA
SCHEMBL835098 0.92 AKR1C1 (0.55) AKR1C1HSD11B1HDAC4MEN1KMT2A
SCHEMBL14491581 0.87 ALDH1A1 (0.35) AKR1C1HSD11B1HDAC4SPHK1MEN1
SCHEMBL8220769 0.80 MAOB (0.38) HSD11B1MAOAMAOBSLC22A2SLC22A1
SCHEMBL17115021 0.80 HSD11B1 (0.45) HSD11B1HDAC4MAOAMAOBHTR3E
SCHEMBL28842444 0.80 SLC22A2 (0.36) TAAR1SLC22A2SLC22A1SLC22A3PLAU
SCHEMBL17102004 0.80 MAOB (0.38) HSD11B1MAOAMAOBSLC22A2SLC22A1
SCHEMBL28842496 0.80 SLC22A2 (0.36) SLC22A2SLC22A1SLC22A3
SCHEMBL21824467 0.80 CA1 (0.42) KMT2A
SCHEMBL21824468 0.80 CA1 (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096654-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
CN-118994191-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-114437105-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-10-11 CN disclosed
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 AKR1C1 1232/4885HSD11B1 679/4885HDAC4 4425/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT AKR1C1 678/4885HSD11B1 528/4885HDAC4 3800/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB AKR1C1 3871/4885HSD11B1 2672/4885HDAC4 1915/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH AKR1C1 1697/4885HSD11B1 1188/4885HDAC4 4361/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 AKR1C1 1317/4885HSD11B1 725/4885HDAC4 4423/4885

“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.