SCHEMBL135219

SCHEMBL135219

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
HKDC1 Q2TB90 1/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 1/20 0.41
LMNA P02545 2/20 0.41
S100A4 P26447 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ERN1 O75460 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
HCAR3 P49019 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
SCHEMBL12562300 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL27625275 0.83 ATM (0.53) ALDH1A1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL30025405 0.81 KDM4E (0.45) KMT2AMEN1RAB9AS100A4TRPV1
SCHEMBL3498660 0.81 KDM4E (0.45) KMT2AMEN1RAB9AS100A4TRPV1
SCHEMBL17875619 0.81 CES2 (0.53) ALDH1A1KMT2AMEN1HPGDRAB9A
SCHEMBL28114926 0.81 KMT2A (0.50) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL28114927 0.81 HPGD (0.52) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL132963 0.80 GPR35 (0.50) ALDH1A1RAB9ALMNAS100A4TRPV1
SCHEMBL32667924 0.79 HCAR3 (0.63) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL1447075 0.79 ERN1 (0.50) ALDH1A1KMT2AMEN1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187803-A The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes 中国人民解放军63975部队 2016-12-07 CN disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
CN-101006065-A Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS INC (US) 2007-07-25 CN disclosed
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2006-02-02 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 (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-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 ALDH1A1 3755/4885KMT2A 2782/4885MEN1 3701/4885

“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.