SCHEMBL400035

SCHEMBL400035

CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NCCN(O)C(=O)NCCCN3CCCC3=O)[C@@H](C)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.39
NAMPT P43490 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1912112 0.98 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL4236824 0.95 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL403773 0.88 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1095693 0.86 RAB9A (0.52) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1095920 0.82 KIFC1 (0.42) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL403555 0.82 TAOK1 (0.39) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL405490 0.81 TAOK1 (0.39) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL400722 0.80 CTSS (0.38) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL404973 0.80 LMNA (0.44) RAB9AALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL404846 0.80 KIFC1 (0.40) RAB9ASMN1; SMN2ALDH1A1KMT2AHPGD

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 28 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-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-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-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 (4 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 RAB9A 557/4885SMN1; SMN2 2296/4885KDM4E 4327/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885SMN1; SMN2 2296/4885KDM4E 4327/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885SMN1; SMN2 2296/4885KDM4E 4327/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885SMN1; SMN2 2296/4885KDM4E 4327/4885

“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.