SCHEMBL2628015

SCHEMBL2628015

Cc1n[nH]c(C)c1C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
APAF1 O14727 3/20 0.51
TDP2 O95551 2/20 0.51
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
HSP90AA1 P07900 2/20 0.49
NSD2 O96028 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 12/20 0.48
CNR2 P34972 1/20 0.48
BLM P54132 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL2628018 0.77 TAAR1 (0.48) KMT2ALMNA
SCHEMBL10122994 0.77 AKT2 (0.40) GAAKMT2AMAPTMEN1LMNA
SCHEMBL2628017 0.74 GAA (0.56) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL9202581 0.74 NPC1 (0.56) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL2628016 0.73 KMT2A (0.47) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL27905927 0.73 GAA (0.39) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL4223694 0.70 AKT2 (0.46) GAAKMT2ALMNA
SCHEMBL508490 0.70 KMT2A (0.44) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL28607315 0.70 ALDH1A1 (0.54) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL28607316 0.70 ALDH1A1 (0.54) GAAKMT2AKDM4EMAPTALDH1A1

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-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 GAA 4065/4885KMT2A 1166/4885KDM4E 781/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 GAA 4065/4885KMT2A 1166/4885KDM4E 781/4885

“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.