SCHEMBL7930375

SCHEMBL7930375

O=C(CS)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
DYRK1A Q13627 2/20 0.68
ALDH1A1 P00352 3/20 0.65
CLK1 P49759 2/20 0.65
TP53 P04637 2/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 4/20 0.62
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
CSNK1D P48730 1/20 0.60
POLB P06746 2/20 0.56

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
SCHEMBL27173184 0.86 RAB9A (0.68) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL22208373 0.86 RAB9A (0.72) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL30849479 0.86 RAB9A (0.68) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL30595109 0.84 RAB9A (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL29093283 0.84 RAB9A (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL7923452 0.83 DYRK1A (0.68) RAB9ANPC1DYRK1AALDH1A1CLK1
SCHEMBL7933342 0.83 PDPK1 (0.68) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL7924717 0.83 RAB9A (0.72) RAB9ANPC1DYRK1AALDH1A1CLK1
SCHEMBL26967581 0.83 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL3708649 0.82 RAB9A (0.76) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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 RAB9A 3098/4885NPC1 428/4885CYP1A2 1547/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 RAB9A 1619/4885NPC1 4147/4885CYP1A2 927/4885

“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.