SCHEMBL8763597

SCHEMBL8763597

CCOC(=O)c1ccc(Cn2c(-c3ccccc3)cc3cc(Br)ccc32)o1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
KRAS P01116 1/20 0.41
ELANE P08246 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 2/20 0.40
CYP19A1 P11511 1/20 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
SCHEMBL8763599 0.91 TSHR (0.63) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8762256 0.88 ALDH1A1 (0.60) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8762218 0.88 TSHR (0.60) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8762189 0.87 TSHR (0.59) TSHRALDH1A1HPGDKDM4E
SCHEMBL8763754 0.87 POLB (0.46) TSHRALDH1A1L3MBTL1KRAS
SCHEMBL8763452 0.86 TSHR (0.57) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8763611 0.83 TSHR (0.58) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8762297 0.81 ALDH1A1 (0.56) TSHRALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8762806 0.81 TSHR (0.56) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8762908 0.80 ALDH1A1 (0.47) TSHRALDH1A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 TSHR 384/4885ALDH1A1 370/4885HSD17B10 1572/4885

“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.