SCHEMBL401550

SCHEMBL401550

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
HDAC1 Q13547 1/20 0.44
HPGDS O60760 7/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
PTPN1 P18031 1/20 0.40
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL403158 0.85 HDAC1 (0.62) HDAC1HPGDSRAB9AMAPTSMN1; SMN2
SCHEMBL404524 0.81 HDAC6 (0.57) HDAC1HPGDSMAPTLMNASMN1; SMN2
SCHEMBL403123 0.81 HTT (0.47) HPGDSMEN1KMT2AMAPTALDH1A1
SCHEMBL401433 0.79 MAPT (0.50) HDAC1HPGDSMAPTHSD17B1HSD17B2
SCHEMBL403589 0.76 HDAC1 (0.44) HDAC1HPGDSRAB9AMAPTLMNA
SCHEMBL400478 0.76 TP53 (0.51) ACKR3HDAC1HPGDSRAB9AMAPT
SCHEMBL399468 0.76 KDM4E (0.60) ACKR3HDAC1HPGDSMAPTLMNA
SCHEMBL405032 0.75 ERCC5 (0.54) HDAC1HPGDSRAB9AMAPTLMNA
SCHEMBL402124 0.74 MAPT (0.54) HDAC1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6264400 0.73 HPGDS (0.61) ACKR3HDAC1HPGDSRAB9AMEN1

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 21 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-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-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-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-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-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-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 (7 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 ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ACKR3 4427/4885HDAC1 824/4885HPGDS 253/4885

“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.