SCHEMBL17476264

SCHEMBL17476264

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.47
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
SCN1A P35498 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CREBBP Q92793 1/20 0.33

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
SCHEMBL17476304 0.79 SMYD3 (0.56) SMYD3SCN5ASCN9AALDH1A1MAPT
SCHEMBL17481987 0.79 DRD2 (0.33) ALDH1A1MAPTGAADRD2
SCHEMBL18227270 0.77 MAOA (0.41) ALDH1A1MAPTKMT2ACREBBP
SCHEMBL31364686 0.76 SMYD3 (0.57) SMYD3SCN5ASCN9AALDH1A1MAPT
SCHEMBL306669 0.76 SMYD3 (0.57) SMYD3SCN5ASCN9AALDH1A1MAPT
SCHEMBL17481985 0.75 ADRB2 (0.39) SMYD3
SCHEMBL7279844 0.74 SMYD3 (0.60) SMYD3SCN5ASCN9AGAASCN1A
SCHEMBL17476309 0.74 SMYD3 (0.56) SMYD3SCN5ASCN9AGAAHTR1A
SCHEMBL18239918 0.74 MAPT (0.37) ALDH1A1MAPTHTR1ADRD2
Hydrochloric Acid SCHEMBL7373686 0.73 SMYD3 (0.58) SMYD3SCN5ASCN9AGAASCN1A

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-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-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
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 SMYD3 2/4885SCN5A 3273/4885SCN9A 2840/4885

“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.