SCHEMBL7933600

SCHEMBL7933600

Cc1cc(NC(=O)CS)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 3/20 0.50
HPGD P15428 1/20 0.48
AKT1 P31749 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
NTRK1 P04629 1/20 0.47
CDK1 P06493 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
PHKG2 P15735 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
SCHEMBL7923958 0.87 KMT2A (0.68) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL10982179 0.85 POLB (0.56) POLBKMT2AMAPTMEN1TSHR
SCHEMBL15886346 0.85 TSHR (0.69) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL2639132 0.84 POLB (0.76) POLBKMT2AMAPTMEN1L3MBTL1
SCHEMBL13623357 0.83 POLB (0.54) POLBKMT2AMAPTMEN1TSHR
SCHEMBL4010685 0.83 POLB (0.54) POLBKMT2AMAPTTSHRHPGD
SCHEMBL19879877 0.82 ALDH1A1 (0.65) POLBKMT2AMAPTMEN1TSHR
SCHEMBL4101149 0.81 KMT2A (0.56) POLBKMT2AMAPTMEN1TSHR
SCHEMBL15886354 0.81 ALDH1A1 (0.68) POLBKMT2AMAPTL3MBTL1TSHR
SCHEMBL7929903 0.80 NPC1 (0.59) POLBKMT2AMAPTMEN1L3MBTL1

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 POLB 1320/4885KMT2A 799/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 POLB 3799/4885KMT2A 3093/4885MAPT 2849/4885

“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.