SCHEMBL10077948

SCHEMBL10077948

CCOC(=O)c1[nH]c2cc3c(cc2c1-c1cccnc1OC)CCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 6/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40
TUBB4B P68371 4/20 0.40
TUBB3 Q13509 4/20 0.40
TUBB2A Q13885 4/20 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
SCHEMBL10077408 0.87 FFAR4 (0.41) HPGDALDH1A1KDM4EFFAR4MEN1
SCHEMBL832595 0.85 ALDH1A1 (0.48) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL13395452 0.84 ACHE (0.40) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL829516 0.84 ALDH1A1 (0.55) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL829884 0.83 GAA (0.49) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL828877 0.83 ALDH1A1 (0.48) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL383862 0.82 ALDH1A1 (0.64) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL388750 0.82 MEN1 (0.48) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL12890683 0.82 ALDH1A1 (0.47) HPGDALDH1A1CYP1A2XBP1CYP2C19
SCHEMBL10077959 0.80 HPGD (0.41) HPGDALDH1A1CYP1A2XBP1CYP2C19

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-8268803-B2 5, 6-ring annulated indole derivatives and use thereof MERCK SHARP & DOHME CORP. (US) 2012-09-18 US disclosed
EP-2081922-B1 5,6-Ring annulated indole derivatives and use thereof SCHERING CORP (US) 2012-02-01 EP disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
WO-2008136815-A2 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-11-13 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-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF IDO1, IDO2, TPH1 HPGD 1618/4885ALDH1A1 535/4885CYP1A2 184/4885

“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.