SCHEMBL1109440

SCHEMBL1109440

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccccc3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1109298 1.00 RECQL (0.47) RECQLALDH1A1KDM4EGAAMAPT
SCHEMBL404255 0.91 RECQL (0.45) RECQL
SCHEMBL1105508 0.91 RECQL (0.45) RECQL
SCHEMBL13244514 0.91 RECQL (0.45) RECQL
SCHEMBL14400864 0.91 RECQL (0.47) RECQLALDH1A1KDM4EGAAMAPT
SCHEMBL1109524 0.91 RECQL (0.47) RECQLALDH1A1KDM4EGAAMAPT
SCHEMBL1109472 0.91 LMNA (0.47) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL1109197 0.90 HDAC1 (0.51) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL10285909 0.90 HPGD (0.47) ALDH1A1KDM4ELMNAHPGDMEN1
SCHEMBL1109211 0.90 LMNA (0.47) ALDH1A1LMNAHPGDMEN1KMT2A

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 11 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-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 (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 RECQL 1243/4885ALDH1A1 782/4885KDM4E 4327/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS RECQL 1243/4885ALDH1A1 782/4885KDM4E 4327/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RECQL 1243/4885ALDH1A1 782/4885KDM4E 4327/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RECQL 1243/4885ALDH1A1 782/4885KDM4E 4327/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RECQL 1243/4885ALDH1A1 782/4885KDM4E 4327/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS RECQL 1243/4885ALDH1A1 782/4885KDM4E 4327/4885

“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.