SCHEMBL16994496

SCHEMBL16994496

CC1(C)CC(N/C(=N/C#N)Nc2ccc(F)cc2)C(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ EPHX2 P34913 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL9901674 0.89 FPR2 (0.34) SMN1; SMN2RAB9A
SCHEMBL16994512 0.88 P2RX7 (0.39) P2RX7EPHX2MAPTHTTSMN1; SMN2
SCHEMBL17271378 0.88 P2RX7 (0.39) P2RX7EPHX2MAPTHTTSMN1; SMN2
SCHEMBL17271379 0.88 KCNJ11 (0.34) P2RX7
SCHEMBL16994509 0.88 KCNJ11 (0.34) P2RX7
SCHEMBL16994514 0.87 P2RX7 (0.43) P2RX7EPHX2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL9905806 0.86 P2RX7 (0.39) P2RX7EPHX2ALDH1A1LMNACYP1A2
SCHEMBL9905805 0.86 P2RX7 (0.39) P2RX7EPHX2ALDH1A1LMNACYP1A2
SCHEMBL16994500 0.86 P2RX7 (0.39) P2RX7EPHX2ALDH1A1LMNACYP1A2
SCHEMBL9902190 0.86 P2RX7 (0.41) P2RX7EPHX2SIGMAR1SMN1; SMN2TP53

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 P2RX7 348/4885EPHX2 2392/4885SIGMAR1 680/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885EPHX2 2467/4885SIGMAR1 652/4885

“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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