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SCHEMBL832109

SCHEMBL832109

COc1ncc(-c2c(C(=O)O)n(Cc3ccnc(C)c3)c3ccc(Cl)cc23)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CCR2 P41597 5/20 0.39
▸ ABCB11 O95342 1/20 0.38
▸ EDNRB P24530 4/20 0.37
▸ EDNRA P25101 3/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL832107 0.91 KDR (0.39) PTGDR2CYP3A4MAPTTSHRALOX15
SCHEMBL832301 0.85 PTGDR2 (0.42) PTGDR2MEN1CYP3A4MAPTTSHR
SCHEMBL830572 0.85 CCR2 (0.39) PTGDR2MEN1CYP3A4MAPTTSHR
SCHEMBL387087 0.78 MKNK2 (0.44) PTGDR2MAPTCCR2FAAHTP53
SCHEMBL831838 0.77 PDE4A (0.42) PTGDR2CYP3A4MAPTKMT2ABLM
SCHEMBL12624448 0.77 PTGDR2 (0.43) PTGDR2CYP3A4BLMCCR2EDNRB
SCHEMBL830571 0.76 CCR2 (0.40) PTGDR2PPARGCCR2FAAHCYP2C9
SCHEMBL830149 0.75 CCR2 (0.39) CCR2CYP2C9
SCHEMBL832108 0.73 PDE4A (0.39) PTGDR2CYP3A4BLMCCR2ABCB11
SCHEMBL830148 0.72 CCR2 (0.41) MAPTCCR2FAAHCYP2C9

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
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 — — 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 (3 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 2993/4885MEN1 1177/4885CYP3A4 946/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PTGDR2 1609/4885MEN1 2084/4885CYP3A4 666/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT PTGDR2 1303/4885MEN1 1783/4885CYP3A4 438/4885

“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.