SCHEMBL9902190

SCHEMBL9902190

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.36
EPHX2 P34913 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
RECQL P46063 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
MAPK10 P53779 1/20 0.32
RORC P51449 1/20 0.32
GRIN2B Q13224 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
SCHEMBL16994515 1.00 P2RX7 (0.41) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL16994489 0.92 P2RX7 (0.38) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL9902217 0.88 KDM4E (0.38) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL9902154 0.88 KDM4E (0.38) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL9902214 0.88 KDM4E (0.38) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL9901441 0.88 P2RX7 (0.43) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL16994523 0.88 P2RX7 (0.43) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL16994505 0.88 KDM4E (0.37) P2RX7KDM4EGAAKMT2ACA1
SCHEMBL16994513 0.86 P2RX7 (0.44) P2RX7KDM4EGAAKMT2AEPHX2
SCHEMBL9902059 0.86 P2RX7 (0.44) P2RX7KDM4EGAAKMT2AEPHX2

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
EP-2649048-B1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC (US) 2016-03-30 EP disclosed
EP-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 WO 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 (1 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 348/4885KDM4E 1061/4885GAA 1833/4885

“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.