SCHEMBL5436770

SCHEMBL5436770

COc1ccc(Nc2nnc(NC(=O)Nc3cccc(C(F)(F)F)c3F)s2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 5/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL5447930 0.85 MEN1 (0.56) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL5444881 0.84 MEN1 (0.48) KMT2AMEN1CA12CA1CA2
SCHEMBL5439608 0.84 MEN1 (0.48) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL5454319 0.83 MEN1 (0.62) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL5449666 0.82 MAPT (0.59) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL5441877 0.81 SMN1; SMN2 (0.58) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL5438442 0.80 MAPT (0.52) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL5444864 0.71 KDM4E (0.47) KMT2ACA12CA1CA2CA9
SCHEMBL5441696 0.70 BLM (0.55) KMT2AMEN1CA1CA2CA9
SCHEMBL5439554 0.70 BLM (0.55) KMT2AMEN1MAPTMAPK1SMN1; SMN2

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 KMT2A 1865/4885MEN1 1756/4885CA12 4858/4885

“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.