SCHEMBL17481985

SCHEMBL17481985

[N-]=[N+]=NCC(O)c1cccc2c1OCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.39
ADRB1 P08588 6/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SMYD2 Q9NRG4 2/20 0.37

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
SCHEMBL17476311 0.81 SMYD3 (0.44) ADRB2ADRB1SMYD3
SCHEMBL17476273 0.81 SMYD3 (0.44) ADRB2ADRB1SMYD3
SCHEMBL17476275 0.81 SMYD3 (0.44) ADRB2ADRB1SMYD3
Hydrochloric Acid SCHEMBL17476307 0.80 ADRB2 (0.46) ADRB2ADRB1SMYD3
SCHEMBL18227271 0.78 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL18239919 0.75 ADRB2 (0.43) ADRB2ADRB1
SCHEMBL17476264 0.75 SMYD3 (0.47) SMYD3
SCHEMBL17476277 0.75 ADRB2 (0.49) ADRB2ADRB1SMYD2
SCHEMBL13494723 0.74 ADRB1 (0.46) ADRB2ADRB1
SCHEMBL22864201 0.74 ADRB1 (0.65) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US 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-20160031838-A1 SMYD2 INHIBITORS SMYD2, SMYD3, NSD1 ADRB2 4561/4885ADRB1 4623/4885SMYD3 2/4885

“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.