SCHEMBL3013209

SCHEMBL3013209

CN(C)CC(=O)NCC(NC(=O)c1ccc(/C=C/C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 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
SCHEMBL3013224 1.00 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3013219 1.00 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3020066 1.00 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3020061 1.00 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL13984699 0.93 TSHR (0.40) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3014137 0.92 KMT2A (0.43) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3014135 0.92 KMT2A (0.43) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3014132 0.92 KMT2A (0.43) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL3019669 0.90 KMT2A (0.42) MAPTSMN1; SMN2KMT2A
SCHEMBL13245274 0.90 KMT2A (0.42) MAPTSMN1; SMN2KMT2A

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-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ALDH1A1 687/4885POLB 671/4885MAPT 4643/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ALDH1A1 687/4885POLB 671/4885MAPT 4643/4885

“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.