SCHEMBL5438442

SCHEMBL5438442

COc1ccc(Nc2nnc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ HTR2A P28223 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL5441877 0.91 SMN1; SMN2 (0.58) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5442861 0.85 LMNA (0.56) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5444917 0.83 HTR2A (0.46) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5441175 0.82 KMT2A (0.61) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5442863 0.81 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2RAF1
SCHEMBL5436770 0.80 KMT2A (0.50) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5439525 0.78 MEN1 (0.48) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5439613 0.77 KMT2A (0.62) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5439890 0.76 KMT2A (0.80) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL5450971 0.76 SMN1; SMN2 (0.69) MAPTMEN1KMT2AMAPK1SMN1; 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 MAPT 3983/4885MEN1 1756/4885KMT2A 1865/4885

“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.

Send feedback