SCHEMBL3944770

SCHEMBL3944770

C[N]c1ccc(OC)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
EP300 Q09472 1/20 0.52
KAT8 Q9H7Z6 1/20 0.52
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
NQO1 P15559 1/20 0.47
MAPT P10636 3/20 0.44
PLK1 P53350 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HPGDS O60760 1/20 0.42
CDC25B P30305 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC2A1 P11166 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL4125962 0.88 IDO1 (0.44) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL29380721 0.82 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL419307 0.82 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL11857491 0.82 IDO1 (0.52) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL15520982 0.82 IDO1 (0.52) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL14920013 0.77 IDO1 (0.47) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL6395292 0.77 ALDH1A1 (0.50) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL3285474 0.77 MEN1 (0.56) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL3285471 0.77 MEN1 (0.56) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL3191988 0.77 ALDH1A1 (0.54) IDO1EP300KAT8IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 IDO1 196/4885EP300 1689/4885KAT8 4070/4885

“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.