SCHEMBL1016035

SCHEMBL1016035

CN(C(=O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.49
CRHBP P24387 3/20 0.47
CRHR2 Q13324 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AR P10275 4/20 0.46
ATM Q13315 2/20 0.45
TLR9 Q9NR96 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL22312249 0.85 KMT2A (0.52) ALDH1A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1016036 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1019064 0.81 PPIB (0.52) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6577164 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6577161 0.81 MAPT (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7422040 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3936872 0.79 MAPT (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL3154611 0.78 TMEM97 (0.55) ALDH1A1SMN1; SMN2LMNACRHBPCRHR2
SCHEMBL6578789 0.78 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6780965 0.77 CNR2 (0.45) ALDH1A1NPC1RAB9ALMNAMEN1

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 7 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
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN 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 4561/4885NPC1 2993/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 ALDH1A1 3049/4885SMN1; SMN2 4561/4885NPC1 2993/4885

“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.