SCHEMBL2875409

SCHEMBL2875409

COc1ccc(O)cc1C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
GFER P55789 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HDAC8 Q9BY41 3/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SIRT1 Q96EB6 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
DNMT3A Q9Y6K1 1/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
BACE1 P56817 1/20 0.47

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
SCHEMBL7619139 0.81 CA12 (0.67) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL31009365 0.81 CA12 (0.67) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL16195738 0.81 HDAC1 (0.52) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL728419 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL536099 0.79 CA12 (0.55) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL563973 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL9021036 0.78 SIRT1 (0.51) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL12509335 0.78 SIRT1 (0.51) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10
SCHEMBL6536426 0.77 NR1H4 (0.61) SMN1; SMN2HDAC8HDAC1HDAC6POLB
SCHEMBL10033006 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTGFERHSD17B10

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-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2012012627-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-26 WO disclosed
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 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 (1 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A ALDH1A1 1149/4885SMN1; SMN2 2561/4885MAPT 4218/4885

“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.