SCHEMBL16994524

SCHEMBL16994524

CC1(C)CCC(N/C(=N/C#N)Nc2cccc(F)c2)CC(C)(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ EPHX2 P34913 3/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9902941 1.00 P2RX7 (0.41) P2RX7NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16994513 0.93 P2RX7 (0.44) P2RX7NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9902059 0.93 P2RX7 (0.44) P2RX7NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9902498 0.88 MEN1 (0.37) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9902048 0.88 EGFR (0.33) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL9902049 0.88 EGFR (0.33) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL9902494 0.88 MEN1 (0.37) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16994489 0.88 P2RX7 (0.38) P2RX7NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9902380 0.88 P2RX7 (0.37) P2RX7RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16994497 0.88 P2RX7 (0.37) P2RX7RAB9ASMN1; SMN2KMT2AMEN1

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 5 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-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 348/4885NPC1 1245/4885RAB9A 1538/4885
US-20150336932-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOX3 P2RX7 412/4885NPC1 1190/4885RAB9A 1525/4885

“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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