SCHEMBL16120066

SCHEMBL16120066

CN(CCN(C)C(=O)OC(C)(C)C)Cc1nn(S(=O)(=O)c2ccccc2)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.41
▸ HTR2C P28335 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ TNF P01375 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NQO2 P16083 1/20 0.32

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
SCHEMBL17457571 0.92 HTR6 (0.36) HTR6HTR2CSLC6A4GBA1F2
SCHEMBL17457576 0.88 HTR6 (0.45) HTR6TNF
SCHEMBL16100482 0.80 HTR6 (0.46) HTR6ALDH1A1
SCHEMBL16100519 0.76 PTGDR2 (0.35) HTR6F2
SCHEMBL16100001 0.75 PTGDR2 (0.35) HTR6
SCHEMBL16119961 0.75 HRH1 (0.38) HTR6
SCHEMBL17457568 0.72 MAPT (0.35) HTR6ALDH1A1F2
SCHEMBL16120046 0.71 HTR6 (0.36) HTR6HTR2CSLC6A4GBA1NQO2
SCHEMBL16102368 0.70 HTR6 (0.43) HTR6HTR2CALDH1A1CYP2D6
SCHEMBL17457569 0.69 GBA1 (0.36) HTR2CSLC6A4GBA1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2018-04-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-9765035-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-09-19 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
US-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 — — US disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — 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 (2 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-20160024017-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR6 2832/4885HTR2C 4427/4885SLC6A4 2069/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HTR6 2832/4885HTR2C 4427/4885SLC6A4 2069/4885

“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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