SCHEMBL7932209

SCHEMBL7932209

Cc1ccccc1-c1cc(NC(=O)CS)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 4/20 0.45
ALOX15 P16050 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
USP30 Q70CQ3 1/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
NPC1 O15118 5/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL7925064 0.85 ALPL (0.56) RAB9AMAPTHPGDALOX15SMN1; SMN2
SCHEMBL14922974 0.81 USP30 (0.42) RAB9AMAPTHPGDALOX15SMN1; SMN2
SCHEMBL7924144 0.81 MME (0.44) ALOX15TSHRMEN1KMT2ATP53
SCHEMBL7922563 0.80 TP53 (0.51) RAB9AMAPTTP53POLB
SCHEMBL2055710 0.78 SMYD2 (0.49) MAPT
SCHEMBL2055668 0.78 SMYD2 (0.52) MAPT
SCHEMBL7928949 0.78 ALPL (0.52) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL2055685 0.78 CHRNA3 (0.52) MAPT
SCHEMBL2055660 0.78 CHRNA3 (0.52) MAPT
SCHEMBL2055672 0.76 GSK3A (0.53) RAB9ATSHRMEN1KMT2ALMNA

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 RAB9A 3098/4885MAPT 1781/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 RAB9A 1619/4885MAPT 2849/4885HPGD 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.