SCHEMBL8763754

SCHEMBL8763754

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KRAS P01116 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
PIM1 P11309 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8763597 0.87 TSHR (0.60) KRASL3MBTL1ALDH1A1TSHR
SCHEMBL8762443 0.86 NTRK1 (0.48) POLBL3MBTL1
SCHEMBL8762908 0.86 ALDH1A1 (0.47) POLBL3MBTL1ALDH1A1TSHRHTT
SCHEMBL8763020 0.86 CCR2 (0.47) POLB
SCHEMBL8762858 0.84 POLB (0.47) POLBL3MBTL1ALDH1A1PIM1HTT
SCHEMBL8762887 0.84 GRIK1 (0.59) NPC1
SCHEMBL6823478 0.79 ESR1 (0.52) KRASL3MBTL1ALDH1A1NPC1
SCHEMBL8762904 0.78 CCR2 (0.55) KRAS
SCHEMBL6117996 0.78 ALDH1A1 (0.43) POLBALDH1A1TSHR
SCHEMBL8763710 0.77 POLB (0.42) POLBALDH1A1

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 POLB 4231/4885KRAS 2122/4885L3MBTL1 588/4885

“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.