SCHEMBL7932253

SCHEMBL7932253

Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CS)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.71
MAPT P10636 4/20 0.71
ALDH1A1 P00352 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
GRM5 P41594 3/20 0.67
SOAT2 O75908 4/20 0.60
SOAT1 P35610 4/20 0.60
NTRK1 P04629 1/20 0.58
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL7934313 0.95 MAPT (0.79) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL7934316 0.83 MAPT (0.61) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL7932192 0.81 MAPT (0.59) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL21783121 0.80 ABCB1 (0.67) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL7936656 0.80 NTRK1 (0.72) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL14146703 0.77 GRM5 (0.79) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL15070229 0.76 LMNA (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL29479309 0.76 GAA (0.70) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL16171341 0.75 SOAT2 (1.00) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL16171342 0.75 SOAT2 (1.00) LMNAMAPTALDH1A1MEN1KMT2A

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