SCHEMBL5443077

SCHEMBL5443077

COc1ccc(OCc2nnc(NC(=O)Nc3cccc(C)c3)s2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.64
KMT2A Q03164 4/20 0.60
PTPRE P23469 4/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 7/20 0.56
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL5444273 0.90 HPN (0.76) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5442574 0.87 MAPT (0.58) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5443047 0.83 KMT2A (0.66) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL5442863 0.82 MAPT (0.58) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5450981 0.81 MAPT (0.59) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5447957 0.80 MAPT (0.56) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5435721 0.80 HPN (0.57) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5435664 0.79 MAPT (0.59) HPNKMT2APTPRENPC1RAB9A
SCHEMBL5449666 0.78 MAPT (0.59) HPNKMT2APTPRENPC1RAB9A
SCHEMBL2029608 0.78 HPN (1.00) HPNKMT2APTPRENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US claimed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 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 (1 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-20070191353-A1 Use of thiadiazoleurea derivatives RAF1, ARAF, JAK1 HPN 4058/4885KMT2A 1865/4885PTPRE 1052/4885

“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.