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Sugi Predict / Compounds / SCHEMBL209606

SCHEMBL209606

SCHEMBL209606

Nc1ncc(Br)c(N2CCC(Oc3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.39
▸ SCD O00767 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ DCK P27707 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL4757120 0.90 CHRM4 (0.42) CHRM4SCDMAPTGBA1
SCHEMBL209872 0.81 ATM (0.46) L3MBTL1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL209446 0.81 MEN1 (0.48) L3MBTL1MEN1CYP3A4KMT2AHTT
SCHEMBL211300 0.78 KMT2A (0.51) MEN1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL2731281 0.76 ALDH1A1 (0.52) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL208860 0.75 LMNA (0.49) MEN1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL209733 0.74 TRPC5 (0.44) HTTSMN1; SMN2MAPT
SCHEMBL209374 0.74 ABL1 (0.39) MEN1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL209373 0.74 ABL1 (0.39) MEN1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL13985715 0.73 MAP4K4 (0.44) HTTSMN1; SMN2MAPT

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 10 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
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 CHRM4 1370/4885SCD 1170/4885L3MBTL1 1773/4885

“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.