SCHEMBL23168951

SCHEMBL23168951

Nc1cc(Cl)c(Oc2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ P2RX7 Q99572 12/20 0.38
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KLKB1 P03952 1/20 0.34

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
SCHEMBL31356395 1.00 MAPT (0.40) MAPTP2RX7GAAMEN1CYP1A2
SCHEMBL23168940 0.90 MAPT (0.40) MAPTP2RX7KMT2AKLKB1
SCHEMBL23168931 0.85 NPBWR1 (0.46) MAPT
SCHEMBL23168775 0.85 MAPT (0.43) MAPTMEN1CYP1A2POLBCYP3A4
SCHEMBL24820993 0.84 MKNK1 (0.42) MAPTMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL23168745 0.84 KLKB1 (0.40) ALDH1A1KLKB1
SCHEMBL23168950 0.84 P2RX7 (0.40) MAPTP2RX7GAAMEN1CYP1A2
SCHEMBL29822173 0.84 P2RX7 (0.40) MAPTP2RX7GAAMEN1CYP1A2
SCHEMBL23168928 0.82 THRB (0.38) —
SCHEMBL23168751 0.81 NPBWR1 (0.37) MAPTP2RX7CYP1A2POLBCYP3A4

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-20220411400-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-12-29 — — US disclosed
WO-2021057791-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF 广东东阳光药业有限公司 2021-04-01 — — WO 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-20220411400-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA MAPT 1873/4885P2RX7 1050/4885GAA 4093/4885

“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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