SCHEMBL16994501

SCHEMBL16994501

CC1(C)CCC(N/C(=N/C#N)Nc2ccccc2F)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ EPHX2 P34913 7/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL16994507 0.93 P2RX7 (0.43) P2RX7EPHX2ALDH1A1KMT2ARAB9A
SCHEMBL9902441 0.93 P2RX7 (0.43) P2RX7EPHX2ALDH1A1KMT2ARAB9A
SCHEMBL9901698 0.88 KDM4E (0.34) ALDH1A1KMT2AKDM4EGAASIGMAR1
SCHEMBL18727712 0.88 KDM4E (0.34) ALDH1A1KMT2AKDM4EGAASIGMAR1
SCHEMBL17271396 0.88 GAA (0.36) P2RX7EPHX2ALDH1A1KMT2ARAB9A
SCHEMBL17271397 0.88 GAA (0.36) P2RX7EPHX2ALDH1A1KMT2ARAB9A
SCHEMBL9902232 0.86 KDM4E (0.38) P2RX7KMT2AKDM4EGAA
SCHEMBL9902233 0.86 KDM4E (0.38) P2RX7KMT2AKDM4EGAA
SCHEMBL9902381 0.85 P2RX7 (0.37) P2RX7EPHX2ALDH1A1KMT2ARAB9A
SCHEMBL16994497 0.85 P2RX7 (0.37) P2RX7EPHX2ALDH1A1KMT2ARAB9A

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 2392/4885ALDH1A1 1794/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885EPHX2 2467/4885ALDH1A1 1804/4885

“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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