SCHEMBL830035

SCHEMBL830035

CCOC(=O)c1[nH]c2ccc(C)cc2c1-c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 7/20 0.59
MAPT P10636 6/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 2/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 5/20 0.56
CYP1A2 P05177 1/20 0.56
XBP1 P17861 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GFER P55789 1/20 0.49
HTR6 P50406 1/20 0.48

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
SCHEMBL11735538 0.91 KMT2A (0.56) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL11734396 0.90 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL377129 0.89 ALDH1A1 (0.72) ALDH1A1MAPTGAATP53HPGD
SCHEMBL24074556 0.88 MAPT (0.60) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL11732071 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL11736607 0.85 MAPT (0.51) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL8863747 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL27813582 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL6848791 0.83 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTRAB9AGAA
SCHEMBL11298434 0.81 ALDH1A1 (0.51) ALDH1A1MAPTTP53HPGDCYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ALDH1A1 1792/4885KDM4E 1061/4885MAPT 1047/4885

“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.