SCHEMBL1095693

SCHEMBL1095693

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NAMPT P43490 3/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40

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 0.86 RAB9A (0.49) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL403773 0.84 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1912112 0.83 RAB9A (0.46) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL4236824 0.83 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL1095582 0.80 TAOK1 (0.42) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL405304 0.79 TAOK1 (0.39) RAB9ASMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL400868 0.79 KIFC1 (0.42) ALDH1A1HPGDLMNA
SCHEMBL403094 0.75 LMNA (0.44) RAB9APOLBALDH1A1KMT2AHPGD
SCHEMBL402951 0.74 TAOK1 (0.47) RAB9ASMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL403772 0.73 TAS1R3 (0.45) RAB9ASMN1; SMN2ALDH1A1HPGDLMNA

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-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-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-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

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 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-20090163496-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.