SCHEMBL208904

SCHEMBL208904

Nc1ncc(Br)c(N2CCN(C(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
FAAH O00519 2/20 0.48
AURKA O14965 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
P2RY12 Q9H244 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDGFRB P09619 1/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44

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
SCHEMBL209133 0.85 THRB (0.50) GAAAURKAMEN1KMT2AALDH1A1
SCHEMBL209374 0.84 ABL1 (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL209373 0.84 ABL1 (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL210092 0.82 CA1 (0.51) GAAMEN1KMT2AALDH1A1CA1
SCHEMBL209446 0.81 MEN1 (0.48) AURKAMEN1KMT2AALDH1A1MAPT
SCHEMBL211300 0.80 KMT2A (0.51) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2731281 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL208977 0.76 DRD2 (0.55) AURKAALDH1A1CA12CA1CA2
SCHEMBL208860 0.76 LMNA (0.49) GAAAURKAMEN1KMT2AALDH1A1
SCHEMBL209733 0.75 TRPC5 (0.44) FAAHAURKAALDH1A1MAPTHTT

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
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
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 GAA 1988/4885FAAH 2513/4885AURKA 3/4885

“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.