SCHEMBL681637

SCHEMBL681637

CC(C)c1ccnc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TYR P14679 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RNASEH1 O60930 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL23029937 0.83 CYP17A1 (0.33) CYP3A4CYP2C19
SCHEMBL28969184 0.83 CYP3A4 (0.30) CYP3A4CYP2C19
SCHEMBL25299834 0.83 ADRB2 (0.35) ALDH1A1ALOX12HTTGAAHIF1A
SCHEMBL22025156 0.79 ALDH1A1 (0.49) ALDH1A1HTTGAAMAPTTDP1
SCHEMBL9925911 0.77 AURKA (0.37) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL11334424 0.77 — —
SCHEMBL18699175 0.77 GAA (0.35) ALDH1A1HTTGAACYP3A4MAPT
SCHEMBL11399098 0.76 CCR1 (0.48) PTGS1TRPA1CACNA1CALDH1A1ALOX12
SCHEMBL21098120 0.75 NOS3 (0.33) —
SCHEMBL6169475 0.75 ALDH1A1 (0.47) PTGS1TRPA1CACNA1CALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 — — US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 — — US disclosed
US-11873290-B2 — — 2024-01-16 — — US disclosed
US-11873290-B2 — — 2024-01-16 — — US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 — — US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 — — EP disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 — — US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 — — US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 — — US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 — — US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — 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 (14 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS1 418/4885TRPA1 4009/4885CACNA1C 3177/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 PTGS1 1258/4885TRPA1 3826/4885CACNA1C 4003/4885
US-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 PTGS1 489/4885TRPA1 4289/4885CACNA1C 2900/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS PTGS1 1214/4885TRPA1 3301/4885CACNA1C 1750/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 PTGS1 1206/4885TRPA1 399/4885CACNA1C 4222/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 PTGS1 195/4885TRPA1 14/4885CACNA1C 26/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 PTGS1 1242/4885TRPA1 3622/4885CACNA1C 3812/4885
US-11873290-B2 — IL6, MUSK, IL6ST PTGS1 272/4885TRPA1 4319/4885CACNA1C 4194/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 PTGS1 1185/4885TRPA1 4044/4885CACNA1C 4497/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS PTGS1 1214/4885TRPA1 3301/4885CACNA1C 1750/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 PTGS1 226/4885TRPA1 1382/4885CACNA1C 733/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS1 418/4885TRPA1 4009/4885CACNA1C 3177/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PTGS1 994/4885TRPA1 324/4885CACNA1C 1033/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A PTGS1 289/4885TRPA1 4124/4885CACNA1C 4073/4885

“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.

Send feedback