SCHEMBL17271396

SCHEMBL17271396

CC1(C)CCC(N/C(=N/C#N)Nc2ccccc2Cl)CC(C)(C)N1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL17271397 1.00 GAA (0.36) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9901299 0.93 GAA (0.41) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16994501 0.88 P2RX7 (0.39) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL18727712 0.88 KDM4E (0.34) GAAKMT2AKDM4EALDH1A1HCRTR1
SCHEMBL9901698 0.88 KDM4E (0.34) GAAKMT2AKDM4EALDH1A1HCRTR1
SCHEMBL9902885 0.86 KMT2A (0.40) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17271385 0.86 KMT2A (0.40) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16994497 0.85 P2RX7 (0.37) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9902381 0.85 P2RX7 (0.37) GAAKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9902380 0.85 P2RX7 (0.37) GAAKMT2AKDM4EALDH1A1SMN1; SMN2

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 3 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 claimed
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

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 GAA 1833/4885KMT2A 3054/4885KDM4E 1061/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 GAA 1484/4885KMT2A 3506/4885KDM4E 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.

Send feedback