SCHEMBL401049

SCHEMBL401049

CCC(=O)Nc1cccc(C#Cc2ccc(C(=O)NC(CN(C(=O)O)C(C)(C)C)C(=O)NO)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL401048 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ANPC1ALDH1A1LMNA
SCHEMBL2255665 0.86
SCHEMBL405144 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL2872803 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL2872807 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL2255668 0.82
SCHEMBL1095740 0.82
SCHEMBL400419 0.81 HPGD (0.41) SMN1; SMN2
SCHEMBL1105606 0.81 KMT2A (0.41) SMN1; SMN2KMT2A
SCHEMBL405112 0.79 KMT2A (0.47) SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885KMT2A 4800/4885NPC1 371/4885

“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.