SCHEMBL1282894

SCHEMBL1282894

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3nc(C)ccc3OC)c2s1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.35
WHR1 P49842 1/20 0.32
GAK O14976 2/20 0.31
MAPT P10636 2/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL1283397 0.91 PTPN11 (0.33) PTPN11WHR1
SCHEMBL1283194 0.89 PRKCA (0.34) PTPN11
SCHEMBL1282403 0.88 PTPN11 (0.36) PTPN11GAKMAPTADORA2AADORA2B
SCHEMBL1283013 0.87
SCHEMBL1282640 0.86 MEN1 (0.32)
SCHEMBL17233339 0.86
SCHEMBL1282931 0.86 PARP1 (0.35) PTPN11
SCHEMBL1282904 0.86 DGAT1 (0.33)
SCHEMBL1282728 0.85 DGAT1 (0.31) PTPN11
SCHEMBL1283138 0.85 MEN1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS PTPN11 4067/4885WHR1 3890/4885GAK 3777/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA PTPN11 2315/4885WHR1 3442/4885GAK 2350/4885

“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.