SCHEMBL7934008

SCHEMBL7934008

O=C(CS)Nc1ncc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6169811 0.81 CCNK (0.46) TSHRLMNAHTTRAB9AMAPT
SCHEMBL31241012 0.78 RAB9A (0.53) TSHRLMNAHDAC1HDAC6RAB9A
SCHEMBL7936077 0.77 TSHR (0.67) TSHRLMNARAB9AALDH1A1NPC1
SCHEMBL15635468 0.75 ALDH1A1 (0.42) TSHRLMNAHTTHDAC6RAB9A
SCHEMBL31241118 0.75 RAB9A (0.66) LMNARAB9AALDH1A1NPC1MEN1
SCHEMBL31241073 0.74 RAB9A (0.65) LMNARAB9ANPC1POLBKMT2A
SCHEMBL2275255 0.74 MEN1 (0.43) LMNAHTTRAB9AMAPTALDH1A1
SCHEMBL7933385 0.73 ALDH1A1 (0.44) LMNAHDAC1HDAC6RAB9AMAPT
SCHEMBL9769380 0.69 CCNE1 (0.45) TSHRLMNAHTTRAB9AALDH1A1
SCHEMBL14840326 0.69 L3MBTL1 (0.45) HTTRAB9AMAPTALDH1A1NPC1

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 TSHR 4106/4885LMNA 1805/4885HTT 1082/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TSHR 656/4885LMNA 1069/4885HTT 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.