SCHEMBL4483617

SCHEMBL4483617

CCCCCc1nc(CCO)c(C)o1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
GCGR P47871 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3949713 0.81 MEN1 (0.36) TLR8TLR7RAB9ANPC1CYP1A2
SCHEMBL7218646 0.79 KDM4E (0.47) RAB9ANPC1CYP1A2CYP2C19MCL1
SCHEMBL30665024 0.78 MEN1 (0.39) TLR8TLR7GCGRRAB9ANPC1
SCHEMBL30665022 0.74 KCNH2 (0.38) TLR8TLR7RAB9ANPC1CYP1A2
SCHEMBL6504654 0.71
SCHEMBL13566391 0.71 KCNH2 (0.38) TLR8TLR7KMT2AMEN1ALDH1A1
SCHEMBL532911 0.71 MEN1 (0.36) TLR8TLR7RAB9ANPC1CYP1A2
SCHEMBL4482725 0.67 PTPN1 (0.34)
SCHEMBL2616804 0.66 TLR8 (0.33) TLR8TLR7KMT2AMEN1
SCHEMBL5008313 0.66 MEN1 (0.37) TLR8TLR7RAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101092415-A Compound of new benzo heterocycle categories, preparation method and application SHANGHAI INST OF MEDICINES C A (CN) 2007-12-26 CN claimed
CN-1810795-A Benzopyran compound and its prepn and use SHANGHAI INST OF MEDICAMENTS C (CN) 2006-08-02 CN claimed
CN-101092415-B Compound of new benzo heterocycle categories, preparation method and application SHANGHAI INST MATERIA MEDICA 2011-04-27 CN disclosed
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
CN-101092415-A Compound of new benzo heterocycle categories, preparation method and application SHANGHAI INST OF MEDICINES C A (CN) 2007-12-26 CN disclosed
CN-1810795-A Benzopyran compound and its prepn and use SHANGHAI INST OF MEDICAMENTS C (CN) 2006-08-02 CN disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R TLR8 171/4885TLR7 148/4885GCGR 19/4885

“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.