Sugi Predict

Sugi Predict / Compounds / SCHEMBL9953003

SCHEMBL9953003

SCHEMBL9953003

O=[N+]([O-])c1ccc(C2=CC3CCC(C2)N3C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HRH2 P25021 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ AR P10275 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL521277 0.80 SLC6A2 (0.52) KMT2APOLBMEN1
SCHEMBL9953059 0.72 MAPT (0.46) ALDH1A1MAPTPOLBLMNA
SCHEMBL8536405 0.66 SLC6A2 (0.64) ALDH1A1LMNA
SCHEMBL7215838 0.64 SLC6A2 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL22466161 0.64 MAPT (0.51) ALDH1A1KMT2AMAPTPOLBLMNA
SCHEMBL25882422 0.63 ACHE (0.40) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL7214956 0.63 CHRNB2 (0.49) —
SCHEMBL3529113 0.62 MAPT (0.48) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL28762827 0.62 MAPT (0.55) ALDH1A1KMT2AMAPTPOLBLMNA
SCHEMBL29581035 0.61 MEN1 (0.55) ALDH1A1KMT2AMAPTPOLBLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 — — EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ALDH1A1 875/4885SIRT2 995/4885KMT2A 3615/4885

“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.