SCHEMBL15058016

SCHEMBL15058016

CCOC(=O)c1ccc2[nH]c(-c3ccccc3Br)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.54
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HCRTR1 O43613 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
HRH3 Q9Y5N1 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52

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
SCHEMBL1260807 0.84 TUBB4A (0.72) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL7848024 0.79 HRH3 (0.55) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL7920888 0.77 ALDH1A1 (0.68) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL16382896 0.76 FFAR1 (0.64) FFAR1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL68923 0.76 HRH3 (0.84) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL4119529 0.76 ITK (0.62) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL8212523 0.76 HRH3 (0.52) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL3425389 0.75 HRH3 (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL27927108 0.74 FFAR1 (0.53) FFAR1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL16938458 0.74 HRH3 (0.59) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1

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-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 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-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 FFAR1 4688/4885KDM4E 2552/4885ALDH1A1 423/4885

“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.