SCHEMBL170952

SCHEMBL170952

COc1ccc(CC(=O)NCCc2ccc(-c3ccoc3)c(OC)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL127928 0.91 CA1 (0.48) CA1CA2USP2CYP1A2CYP3A4
SCHEMBL147536 0.84 SMN1; SMN2 (0.64) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL248400 0.84 CA1 (0.79) CA1CA2KMT2AMEN1USP2
SCHEMBL30738251 0.84 CA1 (0.79) CA1CA2KMT2AMEN1USP2
SCHEMBL149369 0.83 CA1 (0.61) CA1CA2KMT2AMEN1USP2
SCHEMBL195713 0.82 CA1 (0.60) CA1CA2KMT2AMEN1USP2
SCHEMBL195250 0.81 CA1 (0.59) CA1CA2KMT2AMEN1USP2
SCHEMBL21346179 0.80 CA1 (0.73) CA1CA2KMT2AMEN1USP2
SCHEMBL21346113 0.80 CA1 (0.73) CA1CA2KMT2AMEN1USP2
SCHEMBL170736 0.80 CA1 (0.58) CA1CA2KMT2AMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 3802/4885CA2 1379/4885KMT2A 2296/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CA1 4003/4885CA2 1626/4885KMT2A 2237/4885

“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.