SCHEMBL2123377

SCHEMBL2123377

C=C(C)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
VCAM1 P19320 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL426183 0.85 ALDH1A1 (0.45) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL394065 0.84 TP53 (0.42) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL5461493 0.82 TP53 (0.45) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL8877704 0.77 HSD17B10 (0.51) HSD17B10TP53ALDH1A1KMT2AMEN1
SCHEMBL11986945 0.74 ALDH1A1 (0.47) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL15702605 0.73 HSD17B10 (0.43) HSD17B10TP53HTTALDH1A1KMT2A
SCHEMBL2308001 0.73 ALDH1A1 (0.45) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL9714022 0.72 HSD17B10 (0.60) HSD17B10HTTALDH1A1KMT2AMEN1
SCHEMBL13690070 0.72 HSD17B10 (0.51) HSD17B10ALDH1A1KMT2AMEN1VCAM1
SCHEMBL4363507 0.70 KMT2A (0.40) HSD17B10ALDH1A1KMT2AMEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (1 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 HSD17B10 4139/4885TP53 164/4885HTT 1044/4885

“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.