Sugi Predict

Sugi Predict / Compounds / SCHEMBL1233747

SCHEMBL1233747

SCHEMBL1233747

CC(C)(C)OC(=O)NCC(O)CNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.37
▸ BCHE P06276 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MET P08581 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ LATS1 O95835 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
SCHEMBL12757193 0.87 MEN1 (0.45) MEN1KMT2ANPC1GAARAB9A
SCHEMBL203034 0.86 LATS1 (0.45) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1231854 0.86 BCHE (0.48) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1232866 0.86 MEN1 (0.37) MEN1KMT2ANPC1GAARAB9A
SCHEMBL12776889 0.85 MEN1 (0.41) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1233074 0.84 STK17B (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29136628 0.84 EGFR (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL1036949 0.84 BRD4 (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29947704 0.84 EGFR (0.44) MEN1KMT2ANPC1GAARAB9A
SCHEMBL5456992 0.84 MEN1 (0.44) MEN1KMT2ANPC1GAARAB9A

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
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 — — US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 — — US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 — — US disclosed
EP-1699792-A1 PIPERAZINE, 1,4¨DIAZEPANE, 1,4¨DIAZOCANE, AND 1,5¨DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-09-13 — — EP disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 — — WO disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 — — 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 (2 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 MEN1 2899/4885KMT2A 2601/4885NPC1 3659/4885
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 MEN1 705/4885KMT2A 2219/4885NPC1 2438/4885

“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.