SCHEMBL1109470

SCHEMBL1109470

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN3CCNCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 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
SCHEMBL438902 0.92
SCHEMBL1109453 0.91 NPC1 (0.54) NPC1ALDH1A1MEN1KMT2A
SCHEMBL13659696 0.90 NPC1 (0.42) NPC1CHRM5CHRM3ALDH1A1ATM
SCHEMBL1109198 0.90 NPC1 (0.53) NPC1ALDH1A1MEN1KMT2A
SCHEMBL1109357 0.90 NPC1 (0.53) NPC1ALDH1A1MEN1KMT2A
SCHEMBL1109284 0.89 LMNA (0.47) NPC1ALDH1A1ATMMEN1KMT2A
SCHEMBL1109217 0.88 ATM (0.50) NPC1ALDH1A1ATM
SCHEMBL1109318 0.87 ALDH1A1 (0.49) NPC1ALDH1A1ATMMEN1KMT2A
SCHEMBL12064392 0.87 POLB (0.43) NPC1ALDH1A1ATMMEN1KMT2A
SCHEMBL1109346 0.85 TSHR (0.57) ALDH1A1ATMMEN1KMT2A

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 9 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (4 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885CHRM5 4847/4885CHRM3 4831/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885CHRM5 4847/4885CHRM3 4831/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885CHRM5 4847/4885CHRM3 4831/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NPC1 371/4885CHRM5 4847/4885CHRM3 4831/4885

“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.