Sugi Predict

Sugi Predict / Compounds / SCHEMBL325337

SCHEMBL325337

SCHEMBL325337

O=C(OCc1ccccc1)c1nn(Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ PIN1 Q13526 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40

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
SCHEMBL1873627 0.88 SMN1; SMN2 (0.47) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL326566 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL17459107 0.78 LMNA (0.52) ALDH1A1KMT2AMAPTADORA2ALMNA
SCHEMBL1876257 0.78 ADORA3 (0.60) ALDH1A1KMT2AMAPTADORA2ALMNA
SCHEMBL1645500 0.77 DCTPP1 (0.47) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL21660190 0.77 SMN1; SMN2 (0.54) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1879617 0.76 ADORA3 (0.47) ALDH1A1KMT2AKDM4EADORA2ASMN1; SMN2
SCHEMBL3588480 0.76 NPC1 (0.49) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL17458870 0.76 LMNA (0.57) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL8563671 0.74 KMT2A (0.53) ALDH1A1KMT2AMAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 — — EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 — — US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 — — US disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 — — US disclosed
CN-103080106-A Cyclic ether compounds useful as kinase inhibitors NOVARTIS AG 2013-05-01 — — CN disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 — — WO disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 — — 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B ALDH1A1 2437/4885KMT2A 691/4885MAPT 2904/4885

“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.