SCHEMBL13879490

SCHEMBL13879490

COc1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
RAB9A P51151 1/20 0.74
ALDH1A1 P00352 6/20 0.60
HTT P42858 1/20 0.60
GRM4 Q14833 1/20 0.48
ADORA2A P29274 1/20 0.48
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL13879404 0.88 TSHR (0.78) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL13879415 0.85 RAB9A (0.79) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL13879530 0.83 RAB9A (0.76) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL23657643 0.82 RAB9A (0.74) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL13879458 0.80 ALDH1A1 (0.70) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL6769387 0.77 RAB9A (0.67) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL6769384 0.77 RAB9A (0.67) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL13879554 0.76 TSHR (0.61) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL13879538 0.75 ALDH1A1 (0.75) TSHRRAB9AALDH1A1HTTGRM4
SCHEMBL13879514 0.75 ALDH1A1 (0.60) TSHRALDH1A1MAPTPOLBKMT2A

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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 TSHR 4851/4885RAB9A 3148/4885ALDH1A1 1500/4885

“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.