SCHEMBL5444917

SCHEMBL5444917

COc1ccc(C(=O)c2nnc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SCD O00767 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL5439525 0.94 MEN1 (0.48) HTR2AHTR2CMEN1KMT2ARAF1
SCHEMBL5441858 0.91 SMN1; SMN2 (0.54) HTR2AHTR2CMEN1KMT2ARAF1
SCHEMBL5444512 0.85 MEN1 (0.49) MEN1KMT2ARAB9AMAPTPTGER3
SCHEMBL5441696 0.85 BLM (0.55) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5441353 0.84 BLM (0.55) HTR2AHTR2CMEN1KMT2ARAF1
SCHEMBL5438442 0.83 MAPT (0.52) HTR2AHTR2CMEN1KMT2ARAF1
SCHEMBL5435523 0.81 KMT2A (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5444881 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5441739 0.80 LMNA (0.61) HTR2AHTR2CMEN1KMT2ANPC1
SCHEMBL5442861 0.79 LMNA (0.56) HTR2AHTR2CMEN1KMT2ARAF1

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 HTR2A 1496/4885HTR2C 1060/4885MEN1 1756/4885

“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