SCHEMBL10200751

SCHEMBL10200751

Ic1cnccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
IKBKB O14920 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
AOC3 Q16853 1/20 0.43
KDM4C Q9H3R0 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
SCHEMBL31069619 0.86 ABCB1 (0.50) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL30150617 0.84 ABCB1 (0.54) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL12862698 0.79 MAPT (0.53) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL6637816 0.79 ABCB1 (0.50) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL31723875 0.79 ALDH1A1 (0.50) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL3606177 0.79 ABCB1 (0.50) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL30452934 0.79 ABCB1 (0.50) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL1937025 0.79 LTA4H (0.56) ABCB1HTR1ADRD2LTA4HMAPK14
SCHEMBL2799748 0.79 ABCB1 (0.57) ABCB1LTA4HMAPK14IKBKBALDH1A1
SCHEMBL29043927 0.78 IKBKB (0.59) ABCB1HTR1ADRD2LTA4HMAPK14

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ABCB1 473/4885HTR1A 4477/4885DRD2 4803/4885

“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.