SCHEMBL9902157

SCHEMBL9902157

CC1(C)CCC(NC(=NC#N)Nc2ccncc2)CC(C)(C)N1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCC9 O60706 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KCNJ11 Q14654 1/20 0.34

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
SCHEMBL17271384 1.00 KDM4E (0.44) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL16994495 1.00 KDM4E (0.44) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL16994518 0.92 KDM4E (0.51) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL16994497 0.89 P2RX7 (0.37) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL9902380 0.89 P2RX7 (0.37) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL9902381 0.89 P2RX7 (0.37) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL16994511 0.88 P2RX7 (0.41) KDM4EGAAP2RX7KMT2AALDH1A1
SCHEMBL9901609 0.87 FPR2 (0.35) KDM4EGAAKMT2ALMNAEPHX1
SCHEMBL9901606 0.87 FPR2 (0.35) KDM4EGAAKMT2ALMNAEPHX1
SCHEMBL16994489 0.87 P2RX7 (0.38) KDM4EGAAP2RX7KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522903-B2 Multifunctional nitroxide derivatives and uses thereof RADIKAL THERAPEUTICS INC. (US) 2016-12-20 US claimed
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2015-11-26 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
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-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 KDM4E 1377/4885GAA 1484/4885P2RX7 412/4885

“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.