SCHEMBL209374

SCHEMBL209374

Nc1ncc(Br)c(N2CCN(C(=O)O)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
RPS6KB1 P23443 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
KCNH2 Q12809 1/20 0.34
GRM5 P41594 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
GFER P55789 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL209373 1.00 ABL1 (0.39) ABL1BCRRPS6KB1ALDH1A1MAPT
SCHEMBL208904 0.84 GAA (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL209811 0.83 KCNH2 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL209446 0.82 MEN1 (0.48) RPS6KB1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4757090 0.82 HTT (0.34) RPS6KB1MAPTSMN1; SMN2GRM5MEN1
SCHEMBL4757089 0.82 HTT (0.34) RPS6KB1MAPTSMN1; SMN2GRM5MEN1
SCHEMBL4755253 0.82 LMNA (0.39) RPS6KB1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4755250 0.82 LMNA (0.39) RPS6KB1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL211300 0.82 KMT2A (0.51) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL209190 0.81 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA ABL1 8/4885BCR 275/4885RPS6KB1 663/4885

“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.