SCHEMBL6001796

SCHEMBL6001796

CCCCCc1nc(O)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TLR8 Q9NR97 6/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.45
▸ PRNP P04156 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ PARP1 P09874 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
SCHEMBL13585880 0.82 TLR8 (0.48) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL27871640 0.81 TLR8 (0.52) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL27871518 0.81 TLR8 (0.52) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL1458588 0.81 TLR8 (0.57) TLR8ATMSMN1; SMN2LMNATSHR
SCHEMBL790531 0.81 MAPT (0.47) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL10768279 0.80 MAPT (0.47) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL29377718 0.79 TLR8 (0.58) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL22498767 0.79 TLR8 (0.58) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL28203089 0.79 TLR8 (0.58) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL7544070 0.77 TLR8 (0.54) ALDH1A1KDM4EGAAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 — — 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ALDH1A1 2033/4885KDM4E 2893/4885GAA 178/4885

“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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