SCHEMBL863060

SCHEMBL863060

CCCOCCNC(=O)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HDAC1 Q13547 2/20 0.47
NAMPT P43490 2/20 0.46
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
HPGD P15428 2/20 0.42
HDAC3 O15379 1/20 0.42
MCHR1 Q99705 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL863113 0.92 SMN1; SMN2 (0.52) SMN1; SMN2HDAC1NAMPTHPGDHDAC3
SCHEMBL10001999 0.87 SMN1; SMN2 (0.51) SMN1; SMN2HDAC1CA2CA1HPGD
SCHEMBL3641810 0.84 HDAC1 (0.56) SMN1; SMN2HDAC1CA2CA1HPGD
SCHEMBL10002001 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HDAC1CA2CA1HPGD
SCHEMBL10001998 0.83 CA2 (0.43) SMN1; SMN2HDAC1CA2CA1HPGD
SCHEMBL30002337 0.82 NAAA (0.52) SMN1; SMN2HDAC1CA2HPGDHDAC3
SCHEMBL27189102 0.82 NAAA (0.52) SMN1; SMN2HDAC1CA2HPGDHDAC3
SCHEMBL27189085 0.82 NAAA (0.52) SMN1; SMN2HDAC1CA2HPGDHDAC3
SCHEMBL27189079 0.82 NAAA (0.52) SMN1; SMN2HDAC1CA2HPGDHDAC3
SCHEMBL27189089 0.82 NAAA (0.52) SMN1; SMN2HDAC1CA2HPGDHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8931114-B2 Elastomeric composites with tether-containing, conducting polymers for nanoscale diffusion control THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-01-13 US disclosed
US-20120073027-A1 Elastomeric Composites with Tether-Containing, Conducting Polymers for Nanoscale Diffusion Control THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-03-29 US disclosed
US-8120893-B2 Tether-containing conducting polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-02-21 US disclosed
US-20100073847-A1 TETHER-CONTAINING CONDUCTING POLYMERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-03-25 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-20120073027-A1 Elastomeric Composites with Tether-Containing, Conducting Polymers for Nanoscale Diffusion Control PIEZO1, TWF2, TMEM63A SMN1; SMN2 844/4885HDAC1 2411/4885NAMPT 2028/4885
US-20100073847-A1 TETHER-CONTAINING CONDUCTING POLYMERS SPIN4, PAH, SMC4 SMN1; SMN2 2798/4885HDAC1 1269/4885NAMPT 1295/4885

“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.