SCHEMBL6000190

SCHEMBL6000190

O=Cc1ccc(-c2ccc(CCl)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.43
PRF1 P14222 3/20 0.42
DPP4 P27487 1/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SNCA P37840 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2018651 0.82 APP (0.51) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1133819 0.79 APP (0.54) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL18001816 0.76 APP (0.59) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL9538845 0.76 APP (0.54) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL7905308 0.76 APP (0.68) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1133684 0.76 APP (0.54) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1134019 0.76 APP (0.54) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1133750 0.76 APP (0.54) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2018262 0.76 APP (0.61) APPCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL70783 0.75 APP (0.67) APPCYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
CN-1780823-A Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC (JP) 2006-05-31 CN disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 APP 4646/4885CYP2E1 110/4885CYP3A4 233/4885

“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.