SCHEMBL1109255

SCHEMBL1109255

CN(C)CCN(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 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LTA4H P09960 2/20 0.40
UTS2R Q9UKP6 11/20 0.39
ATM Q13315 1/20 0.38
HPGDS O60760 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL1912243 0.92 ALDH1A1 (0.40) ALDH1A1HPGDLTA4HHPGDSKMT2A
SCHEMBL400026 0.91 ALDH1A1 (0.41) ALDH1A1HPGDLTA4H
SCHEMBL1109202 0.91 MAPT (0.44) ALDH1A1HPGDS
SCHEMBL1109132 0.90 MEN1 (0.39) ALDH1A1HPGDLTA4HATMKMT2A
SCHEMBL1912254 0.90 HDAC1 (0.42) ALDH1A1HPGDLTA4H
SCHEMBL1109216 0.90 HDAC1 (0.39) ALDH1A1HPGDHPGDS
SCHEMBL10287246 0.89 THRA (0.40) ALDH1A1HPGDLTA4H
SCHEMBL10286965 0.88 THRA (0.39) ALDH1A1HPGDLTA4H
SCHEMBL10286750 0.88 HPGDS (0.41) HPGDSKMT2A
SCHEMBL12064362 0.85 MEN1 (0.43) ALDH1A1HPGDSKMT2A

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 8 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-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-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-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 408/4885LTA4H 827/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885LTA4H 827/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885LTA4H 827/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885LTA4H 827/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ALDH1A1 782/4885HPGD 408/4885LTA4H 827/4885

“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.