SCHEMBL6694174

SCHEMBL6694174

COC(=O)CNc1nc(F)c(Cl)c(Oc2ccc(OC)c(C(=O)NCCc3ccccc3)c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ DNMT3A Q9Y6K1 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ TACR3 P29371 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41

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
SCHEMBL6691509 0.90 THRB (0.52) THRBKMT2ACNR2DNMT3AAKR1C3
SCHEMBL6693323 0.83 THRB (0.61) THRBKMT2ANPC1RAB9ATHRA
SCHEMBL6689854 0.82 L3MBTL1 (0.39) THRBKMT2ALMNASMN1; SMN2
SCHEMBL6692440 0.80 THRB (0.36) THRBKMT2AMAPTLMNASMN1; SMN2
SCHEMBL6690382 0.79 THRB (0.60) THRBKMT2ANPC1RAB9ATHRA
SCHEMBL6689993 0.78 RORC (0.48) THRBTHRA
SCHEMBL6690029 0.77 THRB (0.43) THRBTHRA
SCHEMBL7262915 0.74 AKR1C3 (0.51) KMT2ADNMT3AAKR1C3MAPTNPC1
SCHEMBL6690024 0.72 SMN1; SMN2 (0.48) KMT2ALMNATP53SMN1; SMN2
SCHEMBL3784241 0.71 DNMT3A (0.80) DNMT3ALMNANPC1RAB9AHDAC1

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-6747048-B2 TREATING DISEASES OR DISORDERS ASSOCIATED WITH METABOLISM DYSFUNCTION OR WHICH ARE DEPENDENT UPON THE EXPRESSION OF A T3 REGULATED GENE, BRISTOL-MYERS SQUIBB COMPANY 2004-06-08 — — US disclosed
US-20040039028-A1 Pyridine-based thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — 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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA THRB 2/4885KMT2A 2819/4885CNR2 579/4885

“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.

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