SCHEMBL1109299

SCHEMBL1109299

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNc3ccc(N4CCOCC4)cc3)cc2)cc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAC1 P63000 1/20 0.45

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
SCHEMBL400350 0.92 ALDH1A1 (0.49) ALDH1A1
SCHEMBL13825525 0.85 HRH3 (0.44) ALDH1A1HDAC8HDAC6LMNAPOLB
SCHEMBL404826 0.84 HDAC8 (0.54) ALDH1A1HDAC8HDAC6LMNAMAPT
SCHEMBL1109217 0.84 ATM (0.50) ALDH1A1LMNAATMNPC1SMN1; SMN2
SCHEMBL1912129 0.84 ALDH1A1 (0.51) ALDH1A1LMNAPOLBMAPTRAB9A
SCHEMBL1109295 0.84 HDAC1 (0.49) ALDH1A1LMNAPOLBMAPTRAB9A
SCHEMBL1109443 0.83 PTPN1 (0.46) ALDH1A1LMNAMAPTRAB9A
SCHEMBL1109130 0.82 HRH3 (0.50) ALDH1A1HDAC8HDAC6LMNASMN1; SMN2
SCHEMBL1109360 0.82 NAMPT (0.42) ALDH1A1HDAC6LMNAPOLBTP53
SCHEMBL10285905 0.81 HDAC1 (0.46) ALDH1A1HDAC8HDAC6LMNAMAPT

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 ALDH1A1 782/4885HDAC8 2159/4885HDAC6 660/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HDAC8 2159/4885HDAC6 660/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HDAC8 2159/4885HDAC6 660/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HDAC8 2159/4885HDAC6 660/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HDAC8 2159/4885HDAC6 660/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ALDH1A1 782/4885HDAC8 2159/4885HDAC6 660/4885

“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.