SCHEMBL1109506

SCHEMBL1109506

CN(CC(=O)Nc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cc1)Cc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 2/20 0.42
LMNA P02545 1/20 0.38
USP30 Q70CQ3 1/20 0.37
PDPK1 O15530 1/20 0.37
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 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
SCHEMBL405992 0.92 GAA (0.52) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL1109588 0.90 ALDH1A1 (0.48) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL10286695 0.87 LTA4H (0.48) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL1912244 0.86 GAA (0.52) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL1109312 0.85 LTA4H (0.47) MEN1KMT2AALDH1A1LTA4HUSP30
SCHEMBL1912203 0.85 MCHR1 (0.44) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL10286700 0.84 KMT2A (0.47) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL1109216 0.84 HDAC1 (0.39) ALDH1A1L3MBTL1LMNACTSB
SCHEMBL1109505 0.83 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTLTA4H
SCHEMBL1109533 0.83 KDM4E (0.42) MEN1KMT2ARAB9AKDM4ELMNA

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-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-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 (6 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 GAA 79/4885MEN1 2414/4885KMT2A 4800/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS GAA 79/4885MEN1 2414/4885KMT2A 4800/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GAA 79/4885MEN1 2414/4885KMT2A 4800/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GAA 79/4885MEN1 2414/4885KMT2A 4800/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GAA 79/4885MEN1 2414/4885KMT2A 4800/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS GAA 79/4885MEN1 2414/4885KMT2A 4800/4885

“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.