SCHEMBL3787605

SCHEMBL3787605

c1cncc(Oc2ccc(-c3nnco3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.72
▸ CYP19A1 P11511 1/20 0.51
▸ LTA4H P09960 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NOTUM Q6P988 4/20 0.49
▸ LMNA P02545 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46

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
SCHEMBL1186921 0.77 NOTUM (0.62) NOTUMLMNAHSD17B10HPGDHTT
SCHEMBL30310181 0.77 NOTUM (0.62) NOTUMLMNAHSD17B10HPGDHTT
SCHEMBL16114401 0.77 LMNA (0.75) CYP19A1LTA4HLMNAHPGDHTT
SCHEMBL28012602 0.77 TLR8 (0.68) TLR8NOTUMLMNATSHRHPGD
SCHEMBL6386042 0.76 TLR8 (0.73) TLR8NOTUMLMNATSHRHPGD
SCHEMBL6388915 0.76 TLR8 (0.73) TLR8L3MBTL1NOTUMTSHRHSD17B10
Hydrochloric Acid SCHEMBL27783346 0.76 NOTUM (0.60) NOTUMLMNAHSD17B10HPGDHTT
SCHEMBL3531828 0.75 KDM4E (0.52) CYP19A1LTA4HNOTUMLMNAHSD17B10
Bromide SCHEMBL3533557 0.74 KDM4E (0.51) CYP19A1LTA4HNOTUMLMNAHSD17B10
SCHEMBL27968872 0.73 LMNA (0.69) CYP19A1LTA4HLMNATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US 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-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS TLR8 3783/4885CYP19A1 983/4885LTA4H 1864/4885

“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.

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