SCHEMBL6117253

SCHEMBL6117253

COc1ccc(N(C(=O)O)C(C)(C)C)c(CC(O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL6117811 0.82 HSD17B10 (0.39) MEN1KMT2AALDH1A1EPHX2HSD17B10
SCHEMBL15408695 0.79 HSD17B10 (0.36) MAPK1SMN1; SMN2CYP1A2EPHX2HSD17B10
SCHEMBL3225566 0.76 DRD2 (0.40) MEN1KMT2AALDH1A1CYP1A2EPHX2
SCHEMBL9099363 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL8761904 0.74 CACNA1B (0.42) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL3225557 0.72 TP53 (0.34) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7412320 0.70 HTT (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2548460 0.70 LMNA (0.43) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6118427 0.66 HSD17B10 (0.36) MEN1KMT2AALDH1A1CYP1A2HSD17B10
SCHEMBL3702831 0.65 EPHX2 (0.45) MEN1KMT2AALDH1A1MAPK1SLC6A2

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 2 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US 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 MEN1 2203/4885KMT2A 2189/4885ALDH1A1 370/4885

“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.

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