SCHEMBL7930002

SCHEMBL7930002

O=C(CS)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.60
MGAM O43451 7/20 0.60
SI P14410 7/20 0.60
MGAM2 Q2M2H8 7/20 0.60
KMT2A Q03164 5/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 3/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HDAC1 Q13547 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC6 Q9UBN7 2/20 0.56
TP53 P04637 1/20 0.55
WNT3A P56704 1/20 0.55
POLB P06746 1/20 0.55
DNMT1 P26358 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL4408570 0.87 GAA (0.61) GAAMGAMSIMGAM2KMT2A
SCHEMBL4487938 0.87 GAA (0.61) GAAMGAMSIMGAM2KMT2A
SCHEMBL7929906 0.86 HDAC1 (0.73) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL7930531 0.86 ABL1 (0.68) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL10921733 0.84 KMT2A (0.68) GAAMGAMSIMGAM2KMT2A
SCHEMBL21484734 0.83 ABL1 (0.69) GAAMGAMSIMGAM2KMT2A
SCHEMBL12527532 0.81 ABL1 (0.74) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL4075045 0.81 MAPT (0.65) GAAMGAMSIMGAM2KMT2A
SCHEMBL4086850 0.78 MAPT (0.59) GAAMGAMSIMGAM2KMT2A
SCHEMBL14125385 0.77 MAPT (0.61) GAAMGAMSIMGAM2KMT2A

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 GAA 43/4885MGAM 360/4885SI 473/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 GAA 112/4885MGAM 1797/4885SI 966/4885

“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.