SCHEMBL7924717

SCHEMBL7924717

Cc1ccc2nc(NC(=O)CS)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
NPC1 O15118 7/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
TP53 P04637 2/20 0.72
ACP1 P24666 1/20 0.72
DYRK1A Q13627 1/20 0.70
ALDH1A1 P00352 2/20 0.69
POLB P06746 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MITF O75030 1/20 0.69
APEX1 P27695 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
LMNA P02545 4/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
STAT1 P42224 1/20 0.65
CLK1 P49759 1/20 0.63
PTPN1 P18031 1/20 0.63
MAPT P10636 4/20 0.62
CSNK1D P48730 2/20 0.62

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
SCHEMBL14189669 0.87 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL11920138 0.86 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL28384921 0.86 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL10936133 0.86 DYRK1A (0.74) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL29477216 0.86 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL29500269 0.86 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL19844517 0.86 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL19844513 0.85 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL9332546 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ACP1
SCHEMBL18213688 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53ACP1

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 RAB9A 3098/4885NPC1 428/4885SMN1; SMN2 313/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 RAB9A 1619/4885NPC1 4147/4885SMN1; SMN2 120/4885

“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.