SCHEMBL1912243

SCHEMBL1912243

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 3/20 0.40
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGDS O60760 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 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
SCHEMBL1912254 0.94 HDAC1 (0.42) ALDH1A1HPGDHDAC1LTA4HHDAC3
SCHEMBL10287246 0.93 THRA (0.40) ALDH1A1HPGDHDAC1LTA4HHDAC3
SCHEMBL10286965 0.92 THRA (0.39) ALDH1A1HPGDHDAC1LTA4HHDAC3
SCHEMBL1109255 0.92 ALDH1A1 (0.40) ALDH1A1HPGDHPGDSKMT2ALTA4H
SCHEMBL1109216 0.92 HDAC1 (0.39) ALDH1A1HPGDHDAC1TP53L3MBTL1
SCHEMBL403018 0.91 ALDH1A1 (0.41) ALDH1A1HPGDHDAC1NPC1RAB9A
SCHEMBL1109132 0.90 MEN1 (0.39) ALDH1A1HPGDHDAC1KMT2ALTA4H
SCHEMBL1109202 0.88 MAPT (0.44) ALDH1A1HDAC1L3MBTL1HPGDS
SCHEMBL10286750 0.88 HPGDS (0.41) HDAC1HPGDSKMT2AHDAC6
SCHEMBL10286120 0.86 ALDH1A1 (0.46) ALDH1A1HPGDHDAC1HPGDSKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 ALDH1A1 782/4885HPGD 408/4885HDAC1 824/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885HDAC1 824/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885HDAC1 824/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885HDAC1 824/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885HDAC1 824/4885

“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.