SCHEMBL832275

SCHEMBL832275

Cc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MGAM O43451 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ SI P14410 3/20 0.40
▸ MGAM2 Q2M2H8 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL832999 0.93 PTGDR2 (0.37) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12622978 0.90 KDM4A (0.43) KDM4ETSHRALDH1A1MAPTLMNA
SCHEMBL12622983 0.90 ALDH1A1 (0.45) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12622996 0.89 PTGDR2 (0.33) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12622991 0.89 PKM (0.37) KDM4EPKMALDH1A1LMNAHSD17B10
SCHEMBL12622989 0.89 MAPT (0.41) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12623197 0.89 KDM4E (0.42) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12624639 0.89 MAPT (0.40) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12623007 0.88 MAPT (0.43) KDM4ETSHRPKMALDH1A1MAPT
SCHEMBL12623239 0.87 PTGDR2 (0.36) KDM4ETSHRPKMMGAMGAA

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 KDM4E 2071/4885TSHR 2811/4885PKM 4410/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KDM4E 1061/4885TSHR 3796/4885PKM 4206/4885

“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.

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