SCHEMBL9925874

SCHEMBL9925874

NCC(NC(=O)c1ccc(C#Cc2ccc(NC(=O)CN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1095642 1.00 ATM (0.48) ATMALDH1A1CA1CA2CA9
SCHEMBL404820 0.96 ATM (0.47) ATMALDH1A1CA1CA2CA9
SCHEMBL1109391 0.91 ATM (0.51) ATMALDH1A1CA1CA2CA9
SCHEMBL1109173 0.91 ATM (0.51) ATMALDH1A1CA1CA2CA9
SCHEMBL404668 0.91 NPC1 (0.49) ALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL404363 0.90 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL400702 0.90 NPC1 (0.48) ALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL401456 0.89 LMNA (0.44) ATMALDH1A1LMNASMN1; SMN2
SCHEMBL403276 0.88 NPC1 (0.47) ALDH1A1HPGDLMNASMN1; SMN2TDP1
SCHEMBL402739 0.87 HTT (0.53) ATMALDH1A1CA1CA2LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 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
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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

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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885CA1 4246/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885CA1 4246/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ATM 4652/4885ALDH1A1 782/4885CA1 4246/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 ATM 4642/4885ALDH1A1 687/4885CA1 4310/4885

“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.