SCHEMBL403586

SCHEMBL403586

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NC3CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
MCHR1 Q99705 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CYP2C9 P11712 2/20 0.42
HSPB1 P04792 1/20 0.42
MAPK11 Q15759 1/20 0.42
TAOK1 Q7L7X3 2/20 0.41
SMYD3 Q9H7B4 2/20 0.41
TAOK3 Q9H2K8 1/20 0.41
CHRM4 P08173 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL404254 0.92 TAOK1 (0.43) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL400188 0.87 HDAC4 (0.45) MEN1KMT2ACA12CA9TAOK1
SCHEMBL404815 0.87 CA12 (0.41) MAPK14MEN1KMT2ACYP2D6CHRM1
SCHEMBL1095545 0.85 TAOK1 (0.45) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL405000 0.82 CA12 (0.47) MCHR1CA12CA9TAOK1TAOK3
SCHEMBL404781 0.82 ALDH1A1 (0.52) KMT2ASMN1; SMN2MCHR1TAOK1TAOK3
SCHEMBL402119 0.81 SMN1; SMN2 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL404734 0.81 TSHR (0.46) MEN1KMT2AMCHR1TAOK1TAOK3
SCHEMBL402467 0.80 ALDH1A1 (0.48) MCHR1TAOK1TAOK3DRD2DRD4
SCHEMBL1101488 0.80 HPGD (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 30 patents — showing the first 20. 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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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-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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (3 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 MAPK14 1663/4885NPC1 371/4885RAB9A 557/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPK14 1663/4885NPC1 371/4885RAB9A 557/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPK14 1663/4885NPC1 371/4885RAB9A 557/4885

“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.