SCHEMBL7932214

SCHEMBL7932214

O=C(CS)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
POLB P06746 2/20 0.73
HTT P42858 2/20 0.73
MITF O75030 1/20 0.73
MAPK1 P28482 1/20 0.73
HDAC1 Q13547 3/20 0.71
HDAC2 Q92769 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC4 P56524 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
HPGD P15428 2/20 0.61
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59

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
SCHEMBL201795 0.85 RNF4 (0.71) ALDH1A1POLBHTTHDAC1HDAC2
SCHEMBL11644514 0.84 ALDH1A1 (0.73) ALDH1A1POLBHTTMITFMAPK1
SCHEMBL8144305 0.84 ALDH1A1 (0.73) ALDH1A1POLBHTTMITFMAPK1
SCHEMBL12189621 0.83 POLB (0.71) ALDH1A1POLBHTTMITFMAPK1
SCHEMBL5806697 0.83 HPGD (0.67) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL7933622 0.82 LTA4H (0.61) MEN1KMT2ALMNAUSP2
SCHEMBL6392968 0.82 MITF (0.69) ALDH1A1POLBHTTMITFMAPK1
SCHEMBL22588908 0.80 CA12 (0.72) ALDH1A1POLBHTTMITFMAPK1
SCHEMBL7950417 0.80 ALDH1A1 (0.66) ALDH1A1POLBHTTMITFMAPK1
SCHEMBL11670400 0.80 ALDH1A1 (0.66) ALDH1A1POLBHTTMITFMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 WO disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885POLB 1320/4885HTT 1082/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885POLB 3799/4885HTT 2000/4885

“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.