SCHEMBL9535005

SCHEMBL9535005

CCCCCCCCCCCCn1ccnc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.56
POLB P06746 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.50
TBXAS1 P24557 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 3/20 0.37
FAAH O00519 1/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GALR3 O60755 2/20 0.34
ATM Q13315 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL27968084 1.00 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL27968081 1.00 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL27968082 1.00 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL11669837 1.00 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL28813838 1.00 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL5655364 0.98 TLR8 (0.57) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL5657514 0.93 ALDH1A1 (0.58) TLR8POLBALDH1A1KMT2AHTT
SCHEMBL1206348 0.86 ALDH1A1 (0.43) TLR8POLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL28278332 0.83 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1
SCHEMBL3419618 0.83 TLR8 (0.56) TLR8POLBALDH1A1KMT2ATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114699391-A Rotigting transdermal absorption patch 北京福元医药股份有限公司 2022-07-05 CN claimed
CN-113813370-A Medicine for ankylosing spondylitis and preparation method thereof 上海强直医院有限公司 2021-12-21 CN claimed
CN-107669661-B Diclofenac sodium transdermal patch 山东朱氏药业集团有限公司 2020-05-26 CN claimed
CN-116178362-B Aggregation-induced emission material based on benzothiazole hydrazone, and preparation method and application thereof 河南农业大学 2025-03-04 CN disclosed
CN-116178362-A Aggregation-induced emission material based on benzothiazole hydrazone, and preparation method and application thereof 河南农业大学 2023-05-30 CN disclosed
CN-114699391-A Rotigting transdermal absorption patch 北京福元医药股份有限公司 2022-07-05 CN disclosed
CN-114699391-A Rotigting transdermal absorption patch 北京福元医药股份有限公司 2022-07-05 CN disclosed
CN-113813370-A Medicine for ankylosing spondylitis and preparation method thereof 上海强直医院有限公司 2021-12-21 CN disclosed
CN-113813370-A Medicine for ankylosing spondylitis and preparation method thereof 上海强直医院有限公司 2021-12-21 CN disclosed
CN-107669661-B Diclofenac sodium transdermal patch 山东朱氏药业集团有限公司 2020-05-26 CN disclosed
CN-103951620-A Synthetic method of 1-alkyl-1 H-imidazole-2-formaldehyde UNIV JIANGNAN 2014-07-30 CN disclosed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 US disclosed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 US disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP disclosed
WO-2013000108-A1 AZOLE HETEROCYLIC COMPOUNDS, PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2013-01-03 WO disclosed
WO-2013000267-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国科学院上海药物研究所 (CN) 2013-01-03 WO disclosed
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP disclosed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 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 (1 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A TLR8 2086/4885POLB 3703/4885ALDH1A1 608/4885

“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.