SCHEMBL1313705

SCHEMBL1313705

CCC/C(=C/C(=O)O)c1ccc(OC)nc1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TSHR P16473 3/20 0.33
ATM Q13315 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
NNMT P40261 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 2/20 0.32
AR P10275 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL335175 0.94 AR (0.35) POLBTDP1MTNR1AMTNR1BTSHR
SCHEMBL3348500 0.82 POLB (0.40) POLBTDP1TSHRATMMEN1
SCHEMBL3348507 0.82 POLB (0.40) POLBTDP1TSHRATMMEN1
SCHEMBL3348511 0.82 POLB (0.40) POLBTDP1TSHRATMMEN1
SCHEMBL1313707 0.76 POLB (0.39) POLBTDP1MTNR1AMTNR1BTSHR
SCHEMBL1313703 0.76 SMN1; SMN2 (0.38) POLBTDP1TSHRATMMEN1
SCHEMBL1312701 0.72 SMN1; SMN2 (0.41) POLBTDP1ATMNNMTCYP3A4
SCHEMBL335177 0.72 ALOX5 (0.40)
SCHEMBL3330314 0.72 ATM (0.39) POLBTDP1ATMMEN1KMT2A
SCHEMBL3330309 0.72 ATM (0.39) POLBTDP1ATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED 2011-11-10 US disclosed
EP-2352734-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-08-10 EP 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 (1 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-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS NRDC, NGLY1, NISCH POLB 573/4885TDP1 2219/4885MTNR1A 977/4885

“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.