SCHEMBL1109404

SCHEMBL1109404

COCCNc1ccc(-c2ccc(C(=O)N[C@@H](CN)C(=O)NO)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.52
DGAT1 O75907 6/20 0.44
CYP26A1 O43174 1/20 0.39
ALOX5AP P20292 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
SYK P43405 1/20 0.37
ADRA1A P35348 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1109247 0.88 HCAR3 (0.50) HCAR3DGAT1
SCHEMBL404329 0.87 HCAR3 (0.49) HCAR3
SCHEMBL1109556 0.79 PRKD1 (0.47) CYP26A1LOXL2
SCHEMBL1109414 0.78 HCAR3 (0.47) HCAR3DGAT1
SCHEMBL1109400 0.78 CTSB (0.47)
SCHEMBL1109520 0.78 KCNQ3 (0.47) DGAT1
SCHEMBL1109525 0.78 HDAC1 (0.42) DGAT1
SCHEMBL1109279 0.78 HDAC6 (0.50) HCAR3DGAT1
SCHEMBL13366194 0.77 HCAR3 (0.57) HCAR3
SCHEMBL1109137 0.76 KDM4E (0.47) CYP26A1KDM4E

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 HCAR3 2921/4885DGAT1 1874/4885CYP26A1 176/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HCAR3 2921/4885DGAT1 1874/4885CYP26A1 176/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HCAR3 2921/4885DGAT1 1874/4885CYP26A1 176/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HCAR3 2921/4885DGAT1 1874/4885CYP26A1 176/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HCAR3 2921/4885DGAT1 1874/4885CYP26A1 176/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HCAR3 2921/4885DGAT1 1874/4885CYP26A1 176/4885

“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.