SCHEMBL7216579

SCHEMBL7216579

CCCCc1nc(C)c(CCl)n1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
APLNR P35414 2/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
Hydrochloric Acid SCHEMBL7631242 0.99 HTR2A (0.40) TLR8KDM4ELMNAALDH1A1HPGD
SCHEMBL6968208 0.88 TLR8 (0.45) TLR8KDM4ELMNAALDH1A1HPGD
SCHEMBL9856773 0.83 ALDH1A1 (0.46) TLR8KDM4ELMNAALDH1A1HPGD
SCHEMBL7270215 0.81 AGTR1 (0.47) TLR8KDM4ELMNAALDH1A1HPGD
SCHEMBL7270020 0.80 ALDH1A1 (0.41) TLR8KDM4ELMNAALDH1A1HPGD
SCHEMBL9754909 0.77 TLR8 (0.37) TLR8KDM4ELMNAALDH1A1HPGD
SCHEMBL7326750 0.75 APLNR (0.57) HPGDNPSR1APLNR
SCHEMBL9452744 0.74 TLR8 (0.42) TLR8KDM4ELMNAALDH1A1APLNR
SCHEMBL9856774 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9473545 0.72 ALDH1A1 (0.36) LMNAALDH1A1HPGDHTR2AHTR2C

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-20030004201-A1 Medicament SMITHKLINE BEECHAM P.L.C. 2003-01-02 US disclosed
WO-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 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-20030004201-A1 Medicament AGTR2, AGTR1, ACE TLR8 1000/4885KDM4E 4227/4885LMNA 1660/4885

“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.