SCHEMBL403773

SCHEMBL403773

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCCCN3CCCC3=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 1/20 0.57
CYP2C19 P33261 1/20 0.51
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.49
NAMPT P43490 2/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL400035 0.88 RAB9A (0.49) SMN1; SMN2RAB9ACYP2C19HPGDKMT2A
SCHEMBL1912112 0.85 RAB9A (0.46) SMN1; SMN2RAB9ACYP2C19HPGDKMT2A
SCHEMBL1095693 0.84 RAB9A (0.52) SMN1; SMN2RAB9ACYP2C19HPGDKMT2A
SCHEMBL4236824 0.82 RAB9A (0.45) SMN1; SMN2RAB9ACYP2C19HPGDKMT2A
SCHEMBL404159 0.80 POLB (0.47) CYP2C19HPGDALDH1A1TSHRLMNA
SCHEMBL14224146 0.79 DRD2 (0.48) L3MBTL1
SCHEMBL404268 0.79 DRD2 (0.46) CYP2C19ALDH1A1TSHRLMNA
SCHEMBL404676 0.78 ALDH1A1 (0.57) SMN1; SMN2RAB9AHPGDALDH1A1LMNA
SCHEMBL405000 0.78 CA12 (0.47) CYP2C19ALDH1A1TSHRLMNAKDM4E
SCHEMBL404781 0.78 ALDH1A1 (0.52) SMN1; SMN2CYP2C19HPGDKMT2ANAMPT

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 32 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-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-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
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 SMN1; SMN2 2296/4885RAB9A 557/4885CYP2C19 34/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885RAB9A 557/4885CYP2C19 34/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885RAB9A 557/4885CYP2C19 34/4885

“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.