SCHEMBL403057

SCHEMBL403057

O=C(CN1CCOCC1)Nc1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.74
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
ALDH1A1 P00352 8/20 0.72
HPGD P15428 3/20 0.72
ALOX15 P16050 1/20 0.72
HRH3 Q9Y5N1 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA9 Q16790 1/20 0.67
NPC1 O15118 1/20 0.64
USP2 O75604 1/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL9921691 0.86 ATM (0.76) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4186425 0.86 KDM4E (0.71) LMNAALDH1A1HPGDHRH3NPC1
SCHEMBL25526991 0.85 LMNA (0.64) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL13025526 0.85 ATM (0.74) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3216808 0.85 ATM (0.74) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL6555426 0.85 ALDH1A1 (0.80) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL10122851 0.84 LMNA (1.00) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL8338968 0.84 HRH3 (0.73) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL25522803 0.83 ALDH1A1 (0.72) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL6225567 0.82 ATM (0.70) ATMLMNASMN1; SMN2ALDH1A1HPGD

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP 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
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 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 (5 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 ATM 4652/4885LMNA 3397/4885SMN1; SMN2 2296/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 ATM 4532/4885LMNA 1043/4885SMN1; SMN2 3575/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ATM 4642/4885LMNA 3214/4885SMN1; SMN2 2202/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ATM 4652/4885LMNA 3397/4885SMN1; SMN2 2296/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ATM 4652/4885LMNA 3397/4885SMN1; SMN2 2296/4885

“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.