SCHEMBL17175809

SCHEMBL17175809

O=C(NCc1ccccc1)c1csc(-c2cccnc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.69
HDAC6 Q9UBN7 2/20 0.67
TLR7 Q9NYK1 1/20 0.64
HDAC2 Q92769 1/20 0.63
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.55
ATM Q13315 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
SCHEMBL12790089 0.90 HPGD (0.69) HDAC6TLR7RAB9ANPC1MAPT
SCHEMBL7703958 0.88 IRAK4 (0.66) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL14426771 0.84 IRAK4 (0.69) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL28970478 0.82 HDAC6 (0.78) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL28601973 0.82 HDAC6 (0.69) IRAK4HDAC6TLR7HDAC2RAB9A
Chlorobenzene SCHEMBL28344826 0.82 HDAC2 (0.67) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL28348308 0.81 HDAC6 (0.65) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL2113234 0.81 HDAC6 (0.67) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL3477450 0.81 HDAC6 (0.67) IRAK4HDAC6TLR7HDAC2RAB9A
SCHEMBL24755152 0.81 HDAC6 (1.00) IRAK4HDAC6TLR7HDAC2RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028992-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2018-07-24 US disclosed
US-10028992-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2018-07-24 US disclosed
EP-2892525-B1 METHODS OF TREATING MUSCULAR DYSTROPHY UNIV NEVADA RENO (US) 2018-06-13 EP disclosed
US-20150290276-A1 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY 2015-10-15 US disclosed
US-20150290276-A1 METHODS OF TREATING MUSCULAR DYSTROPHY BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY 2015-10-15 US 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-20150290276-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 IRAK4 2141/4885HDAC6 54/4885TLR7 934/4885
US-10028992-B2 Methods of treating muscular dystrophy ITGB7, ITGA2B, ITGB1 IRAK4 2141/4885HDAC6 54/4885TLR7 934/4885

“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.