SCHEMBL832301

SCHEMBL832301

COc1ncccc1-c1c(C(=O)O)n(Cc2ccnc(C)c2)c2ccc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
BLM P54132 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PPARG P37231 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR2 P41597 3/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
PMP22 Q01453 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2D6 P10635 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
SCHEMBL12624448 0.91 PTGDR2 (0.43) PTGDR2BLMCYP3A4CCR2PDE4A
SCHEMBL831838 0.91 PDE4A (0.42) PTGDR2BLMCYP3A4MAPTKMT2A
SCHEMBL832108 0.87 PDE4A (0.39) PTGDR2BLMCYP3A4CCR2PDE4A
SCHEMBL832109 0.85 PTGDR2 (0.40) PTGDR2BLMCYP3A4MEN1MAPT
SCHEMBL830670 0.84 CCR2 (0.40) PTGDR2BLMCYP3A4MEN1MAPT
SCHEMBL12665412 0.83 SERPINE1 (0.44) PTGDR2BLMCYP3A4MEN1MAPT
SCHEMBL832909 0.82 PDE4A (0.43) PTGDR2BLMCYP3A4MAPTKMT2A
SCHEMBL832928 0.81 MAPT (0.44) BLMCYP3A4MEN1MAPTALOX15
SCHEMBL832178 0.81 MAPK8 (0.39) PTGDR2
SCHEMBL831263 0.77 MKNK2 (0.46) PTGDR2BLMCYP3A4MAPTCCR2

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (2 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PTGDR2 2993/4885BLM 2205/4885CYP3A4 946/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PTGDR2 1609/4885BLM 2490/4885CYP3A4 666/4885

“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.