SCHEMBL4530178

SCHEMBL4530178

CCOc1ccc(-c2cscn2)c(N2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL17626017 0.82 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL19626519 0.80 HTT (0.54) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL14754460 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL19625508 0.77 MEN1 (0.44) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL4519552 0.77 PKM (0.44) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL10151090 0.75 LMNA (0.46) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL14754449 0.75 LMNA (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL11140353 0.73 TSHR (0.54) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL30180181 0.72 MEN1 (0.50) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL15075697 0.72 MAPT (0.43) MEN1KMT2AMAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MEN1 1785/4885KMT2A 2953/4885MAPT 2844/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MEN1 3610/4885KMT2A 4200/4885MAPT 568/4885

“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.