SCHEMBL1109467

SCHEMBL1109467

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CN(C)Cc3cccc(F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.49
DGAT1 O75907 2/20 0.41
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
CSGALNACT1 Q8TDX6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL402665 0.93 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL1912296 0.89 LTA4H (0.47) MEN1KMT2ADGAT1ALDH1A1
SCHEMBL1912274 0.89 LTA4H (0.48) MEN1KMT2AALDH1A1KDM4E
SCHEMBL10286700 0.86 KMT2A (0.47) MEN1KMT2ALMNAROCK1ALDH1A1
SCHEMBL1109324 0.85 KMT2A (0.47) MEN1KMT2ALMNAALDH1A1
SCHEMBL1912244 0.84 GAA (0.52) MEN1KMT2ALMNADGAT1ALDH1A1
SCHEMBL1109362 0.84 ANPEP (0.43) LMNADGAT1ROCK1CSGALNACT1GRM5
SCHEMBL1109225 0.83 NAMPT (0.43) MEN1KMT2ADGAT1ROCK1MAPT
SCHEMBL1109356 0.82 PTPN1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL10286747 0.82 MEN1 (0.43) MEN1KMT2ALMNADGAT1ALDH1A1

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 MEN1 2414/4885KMT2A 4800/4885LMNA 3397/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885LMNA 3397/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885LMNA 3397/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885LMNA 3397/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885LMNA 3397/4885

“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.