SCHEMBL10077408

SCHEMBL10077408

COc1ncccc1-c1c(C(=O)O)[nH]c2cc3c(cc12)CCC3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
DHODH Q02127 1/20 0.41
GPR35 Q9HC97 6/20 0.40
BTK Q06187 1/20 0.39
MCL1 Q07820 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP2 P11137 3/20 0.36
KCNA3 P22001 1/20 0.35
PIK3CA P42336 1/20 0.34

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
SCHEMBL10077948 0.87 HPGD (0.41) FFAR4LOXL2KDM4EMEN1ALDH1A1
SCHEMBL12342246 0.83 BTK (0.42) FFAR4DHODHBTKLOXL2HDAC6
SCHEMBL14154826 0.82 BTK (0.37) FFAR4DHODHBTKMCL1LOXL2
SCHEMBL12338718 0.76 BTK (0.38) FFAR4DHODHBTKLOXL2HDAC6
SCHEMBL831740 0.71 FFAR4 (0.45) FFAR4DHODHBTKHDAC6PDE10A
SCHEMBL14802292 0.70 GABRP (0.44) FFAR4DHODHBTKLOXL2HDAC6
SCHEMBL832595 0.70 ALDH1A1 (0.48) FFAR4KDM4EALDH1A1HPGDMAP2
SCHEMBL13395452 0.70 ACHE (0.40) BTKLOXL2KDM4EMEN1ALDH1A1
SCHEMBL13413392 0.69 BTK (0.35) FFAR4DHODHBTKLOXL2HDAC6
SCHEMBL390140 0.69 FFAR4 (0.46) FFAR4BTKLOXL2HDAC6KDM4E

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 FFAR4 4375/4885DHODH 1127/4885GPR35 678/4885

“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.