SCHEMBL3049391

SCHEMBL3049391

COC(=O)CCn1ccc2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SLC40A1 Q9NP59 1/20 0.47
▸ SLC22A12 Q96S37 9/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ACLY P53396 1/20 0.40
▸ PTGER3 P43115 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ USP8 P40818 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL13139529 0.94 MEN1 (0.40) KMT2AMEN1ALDH1A1SLC40A1SLC22A12
SCHEMBL3057088 0.89 MEN1 (0.53) KMT2AMEN1ALDH1A1SLC40A1SLC22A12
SCHEMBL13139534 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1SLC40A1SLC22A12
SCHEMBL13139542 0.84 MEN1 (0.44) KMT2AMEN1ALDH1A1SLC40A1SLC22A12
SCHEMBL3055522 0.83 KMT2A (0.55) KMT2AMEN1ALDH1A1SLC40A1SLC22A12
SCHEMBL3049389 0.81 MEN1 (0.50) KMT2AMEN1ALDH1A1SLC40A1SLC22A12
SCHEMBL3063588 0.80 HTR6 (0.51) SLC22A12PTGDR2HTR6
SCHEMBL13139533 0.76 GAA (0.40) KMT2AMEN1ALDH1A1PTGER3GAA
SCHEMBL13139527 0.71 HTR6 (0.48) ACLYHTR6
SCHEMBL2866149 0.69 KDM4E (0.41) KMT2AMEN1ALDH1A1

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-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB KMT2A 2512/4885MEN1 1256/4885ALDH1A1 1551/4885

“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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