SCHEMBL211301

SCHEMBL211301

Nc1ncc(Br)c(N2CCN(Cc3nccs3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
AURKA O14965 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CYP2D6 P10635 3/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
GNRHR P30968 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL208884 0.81 SRPK1 (0.34) AURKAMEN1POLBKMT2ALMNA
SCHEMBL209448 0.81 POLB (0.52) AURKAMEN1POLBKMT2AALDH1A1
SCHEMBL208698 0.80 AURKA (0.39) AURKAPOLBKMT2ACYP3A4LMNA
SCHEMBL208825 0.80 MAPT (0.45) POLBKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL208675 0.80 AURKA (0.61) AURKAKMT2ALMNASMN1; SMN2
SCHEMBL208800 0.80 AURKA (0.43) AURKAMEN1POLBKMT2AALDH1A1
SCHEMBL2731281 0.80 ALDH1A1 (0.52) MEN1POLBKMT2ALMNASMN1; SMN2
SCHEMBL209244 0.79 ALDH1A1 (0.55) TSHRMEN1POLBKMT2ALMNA
SCHEMBL208836 0.79 AURKA (0.46) AURKAMEN1POLBKMT2AALDH1A1
SCHEMBL208861 0.79 AURKA (0.45) AURKAMEN1POLBKMT2AALDH1A1

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
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-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US 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
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US 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 ALOX15 3875/4885AURKA 3/4885TSHR 2859/4885

“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.