SCHEMBL7935570

SCHEMBL7935570

Cc1cc(Br)ccc1NC(=O)CS

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
DHODH Q02127 1/20 0.54
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTT P42858 2/20 0.49

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
SCHEMBL9416772 0.85 ALDH1A1 (0.58) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL11620459 0.85 MAPT (0.61) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1128719 0.83 MAPT (0.60) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9416712 0.83 MAPT (0.60) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL30894835 0.83 MAPT (0.60) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL29528391 0.83 ALDH1A1 (0.71) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3629114 0.83 ALDH1A1 (0.71) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL5805432 0.83 KMT2A (0.77) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9416690 0.82 ALDH1A1 (0.58) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6004315 0.82 MEN1 (0.63) ALDH1A1MAPTGAAMEN1KMT2A

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 ALDH1A1 496/4885MAPT 1781/4885GAA 43/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885MAPT 2849/4885GAA 112/4885

“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.