SCHEMBL7934316

SCHEMBL7934316

COc1ccc(-c2cc(NC(=O)CS)n(-c3ccccc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 2/20 0.61
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CDK1 P06493 1/20 0.58
CDK4 P11802 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNA2 P20248 1/20 0.58
CCND1 P24385 1/20 0.58
CDK2 P24941 1/20 0.58
CDK7 P50613 1/20 0.58
CCNH P51946 1/20 0.58
SOAT2 O75908 2/20 0.57
SOAT1 P35610 2/20 0.57
GRM5 P41594 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
SCHEMBL7934313 0.87 MAPT (0.79) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL7932253 0.83 LMNA (0.71) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL10061505 0.79 POLB (0.62) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL21783121 0.77 ABCB1 (0.67) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL16585445 0.77 MAPT (0.56) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL7936656 0.77 NTRK1 (0.72) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL14133613 0.77 CCNA2 (0.65) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL5924214 0.77 ALDH1A1 (0.72) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL1822371 0.76 MAPT (0.53) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL7932192 0.76 MAPT (0.59) MAPTALDH1A1LMNAHTTPOLB

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

“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.