SCHEMBL1016036

SCHEMBL1016036

CN(C(=O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 1/20 0.61
MLYCD O95822 2/20 0.60
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5696786 0.84 MLYCD (0.69) SMN1; SMN2MLYCDNPC1RAB9AKMT2A
SCHEMBL1016035 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL3936872 0.81 MAPT (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL1019065 0.80 MLYCD (0.65) ALDH1A1SMN1; SMN2MLYCDNPC1RAB9A
SCHEMBL8789867 0.79 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL12047925 0.79 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL6578873 0.77 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2C19
SCHEMBL1706262 0.76 MAPT (0.53) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3864570 0.76 PTGS2 (0.59) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8029965 0.76 KMT2A (0.60) ALDH1A1SMN1; SMN2LMNANPC1RAB9A

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-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
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 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 (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 ALDH1A1 3049/4885SMN1; SMN2 4561/4885LMNA 4335/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 ALDH1A1 3049/4885SMN1; SMN2 4561/4885LMNA 4335/4885

“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.