SCHEMBL10077959

SCHEMBL10077959

CCOC(=O)c1[nH]c2cc3ncsc3cc2c1-c1cccnc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 7/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
XBP1 P17861 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38

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
SCHEMBL10077958 0.86 NPC1 (0.43) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL832595 0.82 ALDH1A1 (0.48) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL13395472 0.81 ALDH1A1 (0.39) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL13395567 0.81 ALDH1A1 (0.39) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL829516 0.81 ALDH1A1 (0.55) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL829884 0.81 GAA (0.49) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL828877 0.81 ALDH1A1 (0.48) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL10077948 0.80 HPGD (0.41) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL383862 0.80 ALDH1A1 (0.64) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL388750 0.80 MEN1 (0.48) HPGDALDH1A1KDM4ENPC1RAB9A

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 6 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
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
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 535/4885KDM4E 711/4885

“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.