SCHEMBL1109294

SCHEMBL1109294

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(CN3CC[C@@H](N(C)C)C3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
CHRM4 P08173 2/20 0.50
MCHR1 Q99705 1/20 0.49
UTS2R Q9UKP6 2/20 0.43
TNIK Q9UKE5 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HSP90AA1 P07900 1/20 0.43
JAK2 O60674 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
SCHEMBL1912163 1.00 HDAC1 (0.55) HDAC1CHRM4MCHR1UTS2RTNIK
SCHEMBL405317 0.92
SCHEMBL405217 0.92
SCHEMBL10286659 0.85 MCHR1 (0.46) HDAC1MCHR1
SCHEMBL1109115 0.85 MCHR1 (0.46) HDAC1MCHR1
SCHEMBL12064315 0.85 MCHR1 (0.46) HDAC1MCHR1
SCHEMBL1912293 0.85 HDAC1 (0.57) HDAC1CHRM4MCHR1UTS2RTNIK
SCHEMBL1109535 0.85 HDAC1 (0.57) HDAC1CHRM4MCHR1UTS2RTNIK
SCHEMBL1912282 0.84 DRD2 (0.54) MCHR1UTS2RDRD2DRD4
SCHEMBL1109548 0.84 DRD2 (0.54) MCHR1UTS2RDRD2DRD4

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 HDAC1 824/4885CHRM4 4821/4885MCHR1 4181/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885CHRM4 4821/4885MCHR1 4181/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885CHRM4 4821/4885MCHR1 4181/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885CHRM4 4821/4885MCHR1 4181/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885CHRM4 4821/4885MCHR1 4181/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885CHRM4 4821/4885MCHR1 4181/4885

“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.