SCHEMBL4385065

SCHEMBL4385065

CCOC(=O)CN1C(=O)CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
LMNA P02545 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 3/20 0.42
ATAD2 Q6PL18 1/20 0.41
MITF O75030 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10129647 0.91 PPARG (0.48) PPARGLMNASMN1; SMN2RAB9ANPSR1
SCHEMBL8699228 0.88 SIRT2 (0.48) LMNASIRT2RAB9AALDH1A1GRIN1
SCHEMBL2676069 0.84 SIRT2 (0.51) LMNASIRT2ALDH1A1GRIN1GRIN2B
SCHEMBL2061448 0.82 POLB (0.45) LMNASIRT2RAB9AALDH1A1MAPT
SCHEMBL8128306 0.81 ATAD2 (0.61) LMNASIRT2SMN1; SMN2RAB9ANPSR1
SCHEMBL4382637 0.81 ATAD2 (0.65) PPARGLMNARAB9ANPSR1ALDH1A1
SCHEMBL15522229 0.81 HDAC1 (0.53) LMNARAB9ANPSR1ALDH1A1USP2
SCHEMBL10651491 0.81 LMNA (0.50) PPARGLMNARAB9ANPSR1ALDH1A1
SCHEMBL10653865 0.81 LMNA (0.65) PPARGLMNARAB9ANPSR1ALDH1A1
SCHEMBL18421501 0.81 SIRT2 (0.42) LMNASIRT2SMN1; SMN2ALDH1A1HTT

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-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 PPARG 3731/4885LMNA 4335/4885SIRT2 2911/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PPARG 3731/4885LMNA 4335/4885SIRT2 2911/4885

“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.