SCHEMBL459619

SCHEMBL459619

C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CN3CCN(C)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 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
SCHEMBL399640 0.96 LMNA (0.44) LMNAGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL402365 0.93 NPC1 (0.49) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL435142 0.92 NPC1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL401623 0.92 NPC1 (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL404628 0.90 ATM (0.46) LMNASMN1; SMN2ALDH1A1ATM
SCHEMBL1109284 0.90 LMNA (0.47) LMNAGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL405159 0.89 ALDH1A1 (0.47) ALDH1A1
SCHEMBL404637 0.89 NPC1 (0.51) SMN1; SMN2ALDH1A1NPC1
SCHEMBL403977 0.88 NPC1 (0.50) SMN1; SMN2ALDH1A1NPC1
SCHEMBL439727 0.88 NPC1 (0.50) SMN1; SMN2ALDH1A1NPC1

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 19 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-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-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-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (7 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 LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS LMNA 3397/4885GAA 79/4885SMN1; SMN2 2296/4885

“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.