SCHEMBL16994488

SCHEMBL16994488

CC1(C)CC(N/C(=N\C#N)Nc2ccc(Cl)cc2Cl)C(C)(C)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ HCRTR2 O43614 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL9901579 1.00 USP30 (0.38) USP30MAPTKDM4EGAARAB9A
SCHEMBL17271387 0.92 MAPT (0.34) MAPTMEN1KMT2ACYP2C19HTT
SCHEMBL16994522 0.92 MAPT (0.34) MAPTMEN1KMT2ACYP2C19HTT
SCHEMBL9901575 0.92 MAPT (0.34) MAPTMEN1KMT2ACYP2C19HTT
SCHEMBL9901191 0.83 MEN1 (0.35) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL16994504 0.83 MEN1 (0.35) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL18727709 0.83 MEN1 (0.35) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL17271383 0.83 GRM4 (0.32) —
SCHEMBL16994490 0.83 GRM4 (0.32) —
SCHEMBL17271382 0.83 GRM4 (0.32) —

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 USP30 2281/4885MAPT 2036/4885KDM4E 1061/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 USP30 2495/4885MAPT 2271/4885KDM4E 1377/4885

“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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