SCHEMBL147536

SCHEMBL147536

COc1ccc(CC(=O)NCCc2ccc(-c3ccccc3)c(OC)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.57
POLB P06746 2/20 0.57
THRB P10828 1/20 0.57
MEN1 O00255 2/20 0.56

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
SCHEMBL128950 0.90 KMT2A (0.54) SMN1; SMN2CA1CA2KMT2AALDH1A1
SCHEMBL5094513 0.89 SMN1; SMN2 (0.75) SMN1; SMN2CA1CA2KMT2AALDH1A1
SCHEMBL149369 0.89 CA1 (0.61) CA1CA2KMT2AALDH1A1MEN1
SCHEMBL9313075 0.88 KMT2A (0.70) CA1CA2KMT2AALDH1A1HTT
SCHEMBL6380843 0.88 ALDH1A1 (0.70) SMN1; SMN2CA1CA2KMT2AALDH1A1
SCHEMBL194757 0.88 LMNA (0.59) SMN1; SMN2CA1CA2KMT2AALDH1A1
SCHEMBL195713 0.88 CA1 (0.60) SMN1; SMN2CA1CA2KMT2AALDH1A1
SCHEMBL248400 0.88 CA1 (0.79) CA1CA2KMT2AMAPTMEN1
SCHEMBL30738251 0.88 CA1 (0.79) CA1CA2KMT2AMAPTMEN1
SCHEMBL195250 0.87 CA1 (0.59) SMN1; SMN2CA1CA2KMT2AMAPT

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 8 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
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 SMN1; SMN2 3296/4885CA1 3802/4885CA2 1379/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L SMN1; SMN2 3143/4885CA1 4003/4885CA2 1626/4885

“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.