SCHEMBL335175

SCHEMBL335175

CCCC/C(=C\C(=O)O)c1ccc(OC)nc1NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NNMT P40261 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 2/20 0.31
PABPC1 P11940 1/20 0.31
NPC1 O15118 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
MTNR1A P48039 1/20 0.31

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
SCHEMBL1313705 0.94 POLB (0.36) ARPOLBTDP1TSHRCYP3A4
SCHEMBL3348507 0.81 POLB (0.40) POLBTDP1TSHRMAPTCYP1A2
SCHEMBL3348511 0.81 POLB (0.40) POLBTDP1TSHRMAPTCYP1A2
SCHEMBL3348500 0.81 POLB (0.40) POLBTDP1TSHRMAPTCYP1A2
SCHEMBL335177 0.77 ALOX5 (0.40)
SCHEMBL1313707 0.74 POLB (0.39) ARPOLBTDP1TSHRNNMT
SCHEMBL1313703 0.74 SMN1; SMN2 (0.38) POLBTDP1TSHRCYP3A4CYP2C19
SCHEMBL1312701 0.70 SMN1; SMN2 (0.41) POLBTDP1CYP3A4CYP2C19MAPT
SCHEMBL3330314 0.70 ATM (0.39) POLBTDP1MAPTKDM4EMEN1
SCHEMBL3330309 0.70 ATM (0.39) POLBTDP1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300477-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 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 (2 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-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYCS AR 3422/4885POLB 886/4885TDP1 3998/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 AR 1729/4885POLB 977/4885TDP1 779/4885

“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.