SCHEMBL4048871

SCHEMBL4048871

COC(=O)n1ncc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.52
ASAH1 Q13510 2/20 0.52
SLC22A12 Q96S37 1/20 0.49
TFPI2 P48307 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
KMO O15229 1/20 0.44
SYK P43405 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL5120623 0.83 HSD17B10 (0.56) ELANEASAH1SLC22A12TFPI2L3MBTL1
SCHEMBL27780009 0.83 SLC22A12 (0.52) ELANEASAH1SLC22A12TFPI2L3MBTL1
SCHEMBL29754118 0.82 ELANE (0.49) ELANEASAH1SLC22A12TFPI2KMO
SCHEMBL2363023 0.82 ELANE (0.49) ELANEASAH1SLC22A12TFPI2KMO
SCHEMBL1087434 0.80 CHEK1 (0.60) ELANEASAH1SLC22A12TFPI2L3MBTL1
SCHEMBL10396389 0.80 TFPI2 (0.47) ELANEASAH1SLC22A12TFPI2PKM
SCHEMBL14193258 0.80 ASAH1 (0.53) ELANEASAH1SLC22A12TFPI2L3MBTL1
SCHEMBL4423022 0.80 SLC22A12 (0.55) ELANEASAH1SLC22A12TFPI2L3MBTL1
SCHEMBL28331603 0.79 SLC22A12 (0.46) ELANEASAH1SLC22A12TFPI2L3MBTL1
SCHEMBL260982 0.78 SLC22A12 (0.54) ELANEASAH1SLC22A12TFPI2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036679-A Preparation method and application of indazole carboxylic acid 广东大丰植保科技有限公司 2026-05-15 CN disclosed
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-07-31 US disclosed
EP-4326719-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-02-28 EP disclosed
CN-104640847-B Novel Renin Inhibitors 上海医药集团股份有限公司 2019-10-15 CN disclosed
CN-110003169-A GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient 株式会社LG化学 2019-07-12 CN disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 CN disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
EP-0939757-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Dupont Pharmaceuticals Company (US) 1999-09-08 EP disclosed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 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 (2 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 ELANE 3333/4885ASAH1 112/4885SLC22A12 3896/4885
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA1 ELANE 3667/4885ASAH1 1472/4885SLC22A12 1871/4885

“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.