SCHEMBL16099465

SCHEMBL16099465

CN(CCN(C)C(=O)OC(C)(C)C)Cc1nn(C2CCCCO2)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR2C P28335 5/20 0.35
▸ SLC6A4 P31645 5/20 0.35
▸ GHSR Q92847 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ CMKLR1 Q99788 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16099464 1.00 MEN1 (0.35) MEN1KMT2AHTTHTR2CSLC6A4
SCHEMBL16103085 0.91 HTR2C (0.39) HTR2CSLC6A4GHSRKCNH2HTR2A
SCHEMBL16103527 0.91 HTR2C (0.39) HTR2CSLC6A4GHSRKCNH2HTR2A
SCHEMBL16103547 0.90 HTR2C (0.36) HTR2CSLC6A4RAB9AHTR2AALDH1A1
SCHEMBL16103548 0.90 HTR2C (0.36) HTR2CSLC6A4RAB9AHTR2AALDH1A1
SCHEMBL16120043 0.86 HTR2C (0.41) HTR2CSLC6A4GHSRHTR2AALDH1A1
SCHEMBL16125892 0.85 HTR2C (0.39) MEN1KMT2AHTR2CSLC6A4LMNA
SCHEMBL17465771 0.84 HTR2C (0.39) HTR2CSLC6A4HTR2A
SCHEMBL16120040 0.84 HTR2C (0.38) MEN1KMT2AHTR2CSLC6A4RAB9A
SCHEMBL17457589 0.82 HTR2C (0.38) KMT2AHTTHTR2CSLC6A4LMNA

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 10 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-9943504-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2018-04-17 — — US disclosed
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-04 — — US disclosed
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-04 — — US disclosed
US-9394258-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-07-19 — — US disclosed
EP-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
US-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — US disclosed
US-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — 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 (3 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-20140288124-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MEN1 1267/4885KMT2A 76/4885HTT 2922/4885
US-20170119735-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MEN1 1267/4885KMT2A 76/4885HTT 2922/4885
US-20180105497-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MEN1 1267/4885KMT2A 76/4885HTT 2922/4885

“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.

Send feedback