SCHEMBL7929055

SCHEMBL7929055

C[C@@H](NC(=O)CS)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.49
F2 P00734 1/20 0.48
F7 P08709 1/20 0.48

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
SCHEMBL7932470 0.84 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2LMNA
SCHEMBL10066478 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBNPSR1LMNA
SCHEMBL1697719 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBNPSR1LMNA
SCHEMBL2178915 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBNPSR1LMNA
SCHEMBL9953212 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBNPSR1LMNA
SCHEMBL1697716 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBNPSR1LMNA
SCHEMBL7932227 0.83 GPR139 (0.54) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5473681 0.80 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2POLBLMNACYP1A2
SCHEMBL619526 0.78 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2POLBLMNACYP1A2
SCHEMBL255663 0.78 CYP1A2 (0.71) ALDH1A1SMN1; SMN2POLBLMNACYP1A2

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 496/4885SMN1; SMN2 313/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885SMN1; SMN2 120/4885POLB 3799/4885

“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.