SCHEMBL7931376

SCHEMBL7931376

O=C(CS)Nc1ccccc1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
MAOB P27338 1/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.46
RECQL P46063 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL10690887 0.85 L3MBTL1 (0.64) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL29025528 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL5804308 0.83 L3MBTL1 (0.67) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL22966593 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL4172605 0.82 L3MBTL1 (0.70) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL7929912 0.81 ALDH1A1 (0.65) L3MBTL1ALDH1A1HPGDLMNAMAPT
Hydrochloric Acid SCHEMBL11164652 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL12372044 0.81 HDAC3 (0.61) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL2419022 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1HPGDMAOBLMNA
SCHEMBL27547012 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1HPGDMAOBLMNA

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-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-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

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 L3MBTL1 2203/4885ALDH1A1 496/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 L3MBTL1 3533/4885ALDH1A1 2213/4885HPGD 599/4885

“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.