SCHEMBL9954665

SCHEMBL9954665

COCC(=O)NC(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33
PSMB5 P28074 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
SCHEMBL5128332 1.00 TSHR (0.44) TSHRSMN1; SMN2HPGDRECQLMEN1
SCHEMBL3673890 0.85 TSHR (0.50) TSHRSMN1; SMN2HPGDRECQLMEN1
SCHEMBL3673892 0.85 TSHR (0.50) TSHRSMN1; SMN2HPGDRECQLMEN1
SCHEMBL28127289 0.85 TSHR (0.50) TSHRSMN1; SMN2HPGDRECQLMEN1
SCHEMBL19036963 0.83 KDM4E (0.35) TSHRSMN1; SMN2RECQLMEN1KMT2A
SCHEMBL31308086 0.83 TSHR (0.36) TSHRSMN1; SMN2RECQLMEN1KMT2A
SCHEMBL3397754 0.81 SMN1; SMN2 (0.51) TSHRSMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL2294082 0.81 SMN1; SMN2 (0.51) TSHRSMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL25646522 0.81 TSHR (0.46) TSHRSMN1; SMN2HPGDRECQLMEN1
SCHEMBL2294079 0.81 SMN1; SMN2 (0.51) TSHRSMN1; SMN2HPGDNPSR1ALDH1A1

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
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
US-8367680-B2 Antibacterial small molecules and methods for their synthesis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-02-05 US disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
US-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-10-29 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-20090270423-A1 ANTIBACTERIAL SMALL MOLECULES AND METHODS FOR THEIR SYNTHESIS CLSPN, FDPS, DHPS TSHR 4724/4885SMN1; SMN2 4722/4885HPGD 1323/4885

“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.