SCHEMBL170736

SCHEMBL170736

COc1ccc(CC(=O)NCCc2ccc(-c3ccc(C#N)cc3)c(OC)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
PTGER1 P34995 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL129917 0.91 POLB (0.50) CA1CA2SMN1; SMN2LMNAPKM
SCHEMBL147536 0.86 SMN1; SMN2 (0.64) CA1CA2SMN1; SMN2LMNAMAPT
SCHEMBL195713 0.85 CA1 (0.60) CA1CA2SMN1; SMN2LMNAPKM
SCHEMBL195250 0.84 CA1 (0.59) CA1CA2SMN1; SMN2LMNAPKM
SCHEMBL149369 0.84 CA1 (0.61) CA1CA2CA12CA9MEN1
SCHEMBL248400 0.83 CA1 (0.79) CA1CA2CA12CA9MAPT
SCHEMBL30738251 0.83 CA1 (0.79) CA1CA2CA12CA9MAPT
SCHEMBL16189625 0.82 SMN1; SMN2 (0.66) CA1CA2SMN1; SMN2LMNAMAPT
SCHEMBL170952 0.80 CA1 (0.59) CA1CA2CA12CA9MAPT
SCHEMBL21346179 0.79 CA1 (0.73) CA1CA2CA12CA9MAPT

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

“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.