SCHEMBL7934313

SCHEMBL7934313

Cc1ccc(-c2cc(NC(=O)CS)n(-c3ccccc3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.79
LMNA P02545 4/20 0.79
ALDH1A1 P00352 3/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
POLB P06746 2/20 0.79
MEN1 O00255 1/20 0.79
HTT P42858 1/20 0.79
KMT2A Q03164 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
GRM5 P41594 3/20 0.67
NTRK1 P04629 1/20 0.63
SOAT2 O75908 3/20 0.60
SOAT1 P35610 3/20 0.60
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.54
PTPN1 P18031 1/20 0.54

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
SCHEMBL7932253 0.95 LMNA (0.71) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL7934316 0.87 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL21783121 0.82 ABCB1 (0.67) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL7936656 0.82 NTRK1 (0.72) MAPTLMNAALDH1A1MEN1HTT
SCHEMBL14133527 0.79 MAPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL7932192 0.78 MAPT (0.59) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL14146703 0.77 GRM5 (0.79) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL16171341 0.75 SOAT2 (1.00) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL14133033 0.75 CCNA2 (0.63) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL16171342 0.75 SOAT2 (1.00) MAPTLMNAALDH1A1SMN1; SMN2POLB

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 6 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-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
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 MAPT 1781/4885LMNA 1805/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885LMNA 1069/4885ALDH1A1 2213/4885

“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.