SCHEMBL16994508

SCHEMBL16994508

CC1(C)CCC(N/C(=N/C#N)Nc2ccccn2)CC(C)(C)N1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL16994492 0.93 KDM4E (0.51) KDM4EGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL16994486 0.84 KDM4E (0.32) KDM4EGAAKMT2A
SCHEMBL9902621 0.84 KDM4E (0.32) KDM4EGAAKMT2A
SCHEMBL9902618 0.84 KDM4E (0.32) KDM4EGAAKMT2A
SCHEMBL9902380 0.84 P2RX7 (0.37) KDM4EGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL16994497 0.84 P2RX7 (0.37) KDM4EGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9902381 0.84 P2RX7 (0.37) KDM4EGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9902233 0.83 KDM4E (0.38) KDM4EGAAKMT2A
SCHEMBL9902787 0.83 KDM4E (0.38) KDM4EGAAKMT2A
SCHEMBL9902232 0.83 KDM4E (0.38) KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 — — US disclosed
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 — — US disclosed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-9102659-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2015-08-11 — — 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 (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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 KDM4E 1061/4885GAA 1833/4885KMT2A 3054/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KDM4E 1377/4885GAA 1484/4885KMT2A 3506/4885

“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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