SCHEMBL404417

SCHEMBL404417

NC[C@H](NC(=O)c1ccc(C#Cc2ccc(N3CCOCC3)nc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.48
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.43
STAT3 P40763 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACACB O00763 1/20 0.42

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
SCHEMBL401758 0.90 ACACB (0.41) SMN1; SMN2ALDH1A1HDAC6ACACB
SCHEMBL405031 0.90 ACACB (0.41) SMN1; SMN2ALDH1A1HDAC6ACACB
SCHEMBL404189 0.89 RAB9A (0.45) SMN1; SMN2
SCHEMBL436171 0.89 KCNH2 (0.41)
SCHEMBL1912265 0.87 HDAC6 (0.52) MAPTSMN1; SMN2CYP1A2CYP2C19LMNA
SCHEMBL440996 0.81 MMP13 (0.52)
SCHEMBL1105553 0.80 CYP1A2 (0.46) MAPTCYP1A2CYP2C19
SCHEMBL403876 0.80 CYP1A2 (0.46) MAPTCYP1A2CYP2C19
SCHEMBL404408 0.80 CYP1A2 (0.46) MAPTCYP1A2CYP2C19
SCHEMBL404318 0.79 FFAR1 (0.44)

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 21 patents — showing the first 20. 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-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-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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 ADK 2555/4885MAPT 4619/4885SMN1; SMN2 2296/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ADK 2555/4885MAPT 4619/4885SMN1; SMN2 2296/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ADK 2555/4885MAPT 4619/4885SMN1; SMN2 2296/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADK 2555/4885MAPT 4619/4885SMN1; SMN2 2296/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ADK 2555/4885MAPT 4619/4885SMN1; SMN2 2296/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADK 2555/4885MAPT 4619/4885SMN1; SMN2 2296/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ADK 2555/4885MAPT 4619/4885SMN1; 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.