SCHEMBL1109192

SCHEMBL1109192

Cc1cc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)ccc1NC(=O)CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
HPGDS O60760 2/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.38
ANPEP P15144 1/20 0.37
CTSB P07858 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL1109475 0.88 AAK1 (0.41) HPGDSANPEPHDAC3HDAC1HDAC2
SCHEMBL438345 0.87
SCHEMBL405262 0.85
SCHEMBL1109209 0.83 TAAR1 (0.42) SLC1A3SLC1A2SLC1A1CTSBHDAC3
SCHEMBL10287228 0.82 PARP1 (0.45) HPGDSHDAC3HDAC4HDAC1HDAC7
SCHEMBL1109400 0.81 CTSB (0.47) HPGDSANPEPCTSBCTSSCTSK
SCHEMBL1109550 0.81 HPGDS (0.45) HPGDSMAPTANPEPCTSBCTSL
SCHEMBL1109270 0.80 HDAC3 (0.52) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL1109398 0.80 HDAC1 (0.49) HPGDSSMN1; SMN2CTSBHDAC1HDAC6
SCHEMBL12064333 0.77 ANPEP (0.45) HPGDSANPEPCTSBCTSSCTSK

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 10 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-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-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 (5 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 SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885

“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.