SCHEMBL1109130

SCHEMBL1109130

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCCCN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL404799 0.93 HDAC3 (0.47) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL13825525 0.89 HRH3 (0.44) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1912213 0.88 HRH3 (0.54) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1109468 0.87 HRH3 (0.52) HRH3HDAC1CD274ALDH1A1LMNA
SCHEMBL1109259 0.87 EPHX2 (0.40) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1109217 0.86 ATM (0.50) HRH3ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL10286658 0.84 GAA (0.43) HDAC1HDAC2
SCHEMBL1109182 0.84 GAA (0.55) HDAC1HDAC2ALDH1A1TSHRKDM4E
SCHEMBL1109128 0.84 NAMPT (0.44) ALDH1A1NAMPTSMN1; SMN2
SCHEMBL1109181 0.84 GAA (0.51) HDAC1HDAC2ALDH1A1TSHRKDM4E

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-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 HRH3 4195/4885HDAC3 2114/4885HDAC4 1820/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HRH3 4195/4885HDAC3 2114/4885HDAC4 1820/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HRH3 4195/4885HDAC3 2114/4885HDAC4 1820/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HRH3 4195/4885HDAC3 2114/4885HDAC4 1820/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HRH3 4195/4885HDAC3 2114/4885HDAC4 1820/4885

“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.