SCHEMBL19462016

SCHEMBL19462016

COc1ccc([N+](=O)[O-])cc1COC1CCN(C)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
TACR1 P25103 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KCNJ1 P48048 1/20 0.41
LCK P06239 1/20 0.40
CYP19A1 P11511 1/20 0.40
CCR5 P51681 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL19462017 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDTACR1TDP1
SCHEMBL7034412 0.83 HTT (0.48) ALDH1A1SMN1; SMN2HPGDTDP1ACHE
SCHEMBL19477512 0.80 PDE4B (0.48) ALDH1A1SMN1; SMN2HPGDTACR1KMT2A
SCHEMBL19462015 0.79 UTS2R (0.41) TACR1HTTMAPK1
SCHEMBL8793919 0.78 NPSR1 (0.47) ALDH1A1SMN1; SMN2TDP1HTTKMT2A
SCHEMBL31203117 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1ACHEHTT
SCHEMBL5254187 0.77 HTT (0.49) ALDH1A1SMN1; SMN2HPGDTDP1HTT
SCHEMBL31203086 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1ACHEHTT
SCHEMBL30962944 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1ACHEHTT
SCHEMBL19462244 0.76 DRD4 (0.53) ALDH1A1SMN1; SMN2HPGDTDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885SMN1; SMN2 504/4885HPGD 1060/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885SMN1; SMN2 504/4885HPGD 1060/4885

“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.