SCHEMBL13879554

SCHEMBL13879554

COc1ccc(N2C(=O)C3CCCN3C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
ALDH1A1 P00352 11/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 2/20 0.56
AR P10275 1/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL13879514 0.96 ALDH1A1 (0.60) TSHRALDH1A1MAPTKMT2AAR
SCHEMBL10465001 0.91 ALDH1A1 (0.55) TSHRALDH1A1MAPTKMT2AAR
SCHEMBL13879532 0.85 KMT2A (0.77) TSHRALDH1A1MAPTKMT2AAR
SCHEMBL11556670 0.82 KMT2A (0.70) TSHRALDH1A1MAPTKMT2AKDM4E
SCHEMBL13879494 0.81 KMT2A (0.72) TSHRALDH1A1MAPTKMT2AAR
SCHEMBL11174171 0.81 AR (0.64) TSHRALDH1A1MAPTKMT2AAR
SCHEMBL13879545 0.81 AR (0.60) TSHRALDH1A1KMT2AARPOLB
SCHEMBL12543889 0.81 AR (0.56) TSHRALDH1A1MAPTKMT2AAR
SCHEMBL5740339 0.80 KMT2A (0.72) TSHRALDH1A1KMT2AARPOLB
SCHEMBL5739794 0.77 AR (0.67) ALDH1A1KMT2AARPOLB

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 4851/4885ALDH1A1 1500/4885MAPT 4203/4885

“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.