SCHEMBL519320

SCHEMBL519320

CN1CCOc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
PDK1 Q15118 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL29598502 1.00 NOTUM (0.56) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL9228795 0.88 NOTUM (0.49) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL31236146 0.85 CYP11B1 (0.44) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL3220813 0.78 ABCG2 (0.44) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL29450351 0.78 ABCG2 (0.44) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL5022145 0.76 KMT2A (0.52) CYP11B1CYP11B2NPC1LMNASMN1; SMN2
SCHEMBL7343643 0.76 NPC1 (0.59) NOTUMITGB2ICAM1ITGALPDK1
Methylamine SCHEMBL27842047 0.75 ABCG2 (0.41) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL214286 0.75 NOTUM (0.56) NOTUMITGB2ICAM1ITGALPDK1
SCHEMBL18026809 0.75 ITGB2 (0.52) NOTUMITGB2ICAM1ITGALPDK1

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 1483 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125962-A Method for preparing 2-aminomethylindoline-3-carboxylic acid from carbon dioxide 常州大学 2024-06-04 CN claimed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US claimed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 US claimed
CN-114585609-A 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2022-06-03 CN claimed
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP claimed
EP-3990432-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP claimed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 CN claimed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US claimed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP claimed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO claimed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US claimed
EP-2150533-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2010-07-14 EP claimed
US-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS MCGARRITY JOHN 2010-05-27 US claimed
EP-2150533-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2010-02-10 EP claimed
WO-2008131932-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS LONZA AG (CH) 2008-11-06 WO claimed
EP-1988079-A1 Process for the preparation of optically active ethenylphenyl-alcohols LONZA AG (CH) 2008-11-05 EP claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS ADH1A, ADH1C, ADH5 NOTUM 1125/4885ITGB2 1195/4885ICAM1 2406/4885
US-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B NOTUM 1261/4885ITGB2 1951/4885ICAM1 1111/4885
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 NOTUM 2792/4885ITGB2 1461/4885ICAM1 674/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 NOTUM 4070/4885ITGB2 1649/4885ICAM1 932/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NOTUM 4390/4885ITGB2 748/4885ICAM1 497/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 NOTUM 4099/4885ITGB2 2362/4885ICAM1 1236/4885

“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.