SCHEMBL16994517

SCHEMBL16994517

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 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
SCHEMBL16994492 0.87 KDM4E (0.51) KDM4EGAAKMT2ASMN1; SMN2RAB9A
SCHEMBL16982326 0.83 GRM5 (0.32) —
SCHEMBL9903265 0.83 CFD (0.32) —
SCHEMBL16994484 0.83 GRM5 (0.32) —
SCHEMBL9903235 0.83 GRM5 (0.31) ALDH1A1
SCHEMBL9902269 0.83 CFD (0.32) —
SCHEMBL17271378 0.83 P2RX7 (0.39) KDM4EGAAKMT2ASMN1; SMN2EPHX2
SCHEMBL16994512 0.83 P2RX7 (0.39) KDM4EGAAKMT2ASMN1; SMN2EPHX2
SCHEMBL16994508 0.82 KDM4E (0.44) KDM4EGAAKMT2ASMN1; SMN2RAB9A
SCHEMBL16994499 0.82 KDM4E (0.33) 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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