SCHEMBL4125962

SCHEMBL4125962

C[N]c1cccc2c(OC)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
PLAU P00749 1/20 0.42
PNMT P11086 1/20 0.42
EP300 Q09472 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
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
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 6/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 5/20 0.39

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
SCHEMBL3944770 0.88 IDO1 (0.53) IDO1EP300KAT8CA12CA1
SCHEMBL12473426 0.82 CA1 (0.55) IDO1PLAUPNMTEP300KAT8
SCHEMBL31116611 0.82 CA1 (0.61) IDO1PLAUPNMTEP300KAT8
SCHEMBL357145 0.82 CA1 (0.61) IDO1PLAUPNMTEP300KAT8
SCHEMBL1575877 0.78 CA1 (0.57) CA12CA1CA2CA4CA7
SCHEMBL3950253 0.77 CA1 (0.44) CA12CA1CA2CA4CA7
SCHEMBL1547572 0.77 SMN1; SMN2 (0.47) CA12CA1CA2CA4CA7
SCHEMBL4202284 0.72 IDO1 (0.50) IDO1PLAUPNMTEP300KAT8
SCHEMBL17912823 0.72 ALDH1A1 (0.52) IDO1PNMTEP300KAT8CA12
SCHEMBL1547445 0.72 CA1 (0.55) CA12CA1CA2CA4CA7

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-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
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 196/4885PLAU 948/4885PNMT 1914/4885

“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.