SCHEMBL2869340

SCHEMBL2869340

COc1cc(C)cc(C)c1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
ERN1 O75460 1/20 0.43
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ENPP2 Q13822 1/20 0.38
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.34
ABCB1 P08183 1/20 0.34
MAOB P27338 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL29760877 1.00 ACHE (0.46) ACHEERN1ALDH1A1SMN1; SMN2ENPP2
SCHEMBL8709932 0.89 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2ENPP2
SCHEMBL29953008 0.82 TUBB4A (0.40) ERN1ALDH1A1SMN1; SMN2ENPP2PTPN1
SCHEMBL26116441 0.80 ACHE (0.43) ACHEERN1ALDH1A1SMN1; SMN2ENPP2
SCHEMBL17027285 0.80 ACHE (0.43) ACHEERN1ALDH1A1SMN1; SMN2ENPP2
SCHEMBL30994812 0.80 ACHE (0.43) ACHEERN1ALDH1A1SMN1; SMN2ENPP2
SCHEMBL448143 0.79 CA2 (0.43) ACHEALDH1A1ORAI1ORAI2ORAI3
SCHEMBL27380292 0.77 ABCG2 (0.35) ENPP2ORAI1ORAI2ORAI3FFAR4
SCHEMBL13220750 0.77 HSD17B10 (0.38) ERN1ALDH1A1ENPP2ORAI1ORAI2
SCHEMBL677166 0.73 ACHE (0.45) ACHEERN1ALDH1A1ENPP2ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
EP-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
EP-4612150-A1 BRIDGED BICYCLIC HETEROCYCLOALKYL PYRIDO-[3,4-D]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS Ventus Therapeutics U.S., Inc. (US) 2025-09-10 EP disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-20250257077-A1 BRIDGED BICYCLIC HETEROCYCLOALKYL PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U.S., INC. 2025-08-14 US disclosed
US-20240360151-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES SANOFI (FR) 2024-10-31 US disclosed
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. 2024-08-22 US disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
WO-2024094185-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2024-05-10 WO disclosed
WO-2024097629-A1 BRIDGED BICYCLIC HETEROCYCLOALKYL PYRIDO-[3,4-D]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS VENTUS THERAPEUTICS U.S., INC. (US) 2024-05-10 WO disclosed
EP-1301490-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2003-04-16 EP disclosed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 WO disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
EP-1233949-A2 5-SUBSTITUTED ARYLPYRIMIDINES NEUROGEN CORPORATION (US) 2002-08-28 EP disclosed
US-20020072521-A1 5-substituted arylpyrimidines NEUROGEN CORPORATION 2002-06-13 US disclosed
US-20020052387-A1 5-Substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION 2002-05-02 US disclosed
WO-2002006242-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2002-01-24 WO disclosed
WO-2001068614-A2 5-SUBSTITUTED ARYLPYRIMIDINES NEUROGEN CORPORATION (US) 2001-09-20 WO disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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 (7 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-20240360151-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES NLRP3, NOD1, NLRP1 ACHE 852/4885ERN1 2607/4885ALDH1A1 3601/4885
US-20250257077-A1 BRIDGED BICYCLIC HETEROCYCLOALKYL PYRIDO-[3,4-d]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ACHE 4840/4885ERN1 982/4885ALDH1A1 2362/4885
US-20020072521-A1 5-substituted arylpyrimidines HTR5A, CRHR1, HTR4 ACHE 4678/4885ERN1 3151/4885ALDH1A1 1278/4885
US-20020052387-A1 5-Substituted 2-aryl-4-pyrimidinones CRHR1, CRHR2, HTR4 ACHE 4787/4885ERN1 3197/4885ALDH1A1 1083/4885
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF ITGB7, ITGB4, ITGA4 ACHE 2902/4885ERN1 2773/4885ALDH1A1 1190/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 ACHE 4478/4885ERN1 668/4885ALDH1A1 2869/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH ACHE 3719/4885ERN1 2452/4885ALDH1A1 1706/4885

“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.