SCHEMBL26414397

SCHEMBL26414397

COc1ccc(COc2cnc(Oc3c(Cl)cc(Br)cc3Cl)cc2[SH](=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.37
▸ NPBWR1 P48145 5/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ ABCB1 P08183 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 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
SCHEMBL26414144 0.85 CCR5 (0.39) LRRK2NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL23663321 0.80 ABCB1 (0.40) NPBWR1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL29965617 0.80 ABCB1 (0.40) NPBWR1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL29965303 0.79 ACLY (0.46) LRRK2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL23663283 0.79 ACLY (0.46) LRRK2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL29965223 0.77 MAPT (0.39) NPBWR1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL23663272 0.77 MAPT (0.39) NPBWR1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL23663222 0.74 CCR5 (0.42) LRRK2NPBWR1KDM4EALDH1A1CYP1A2
SCHEMBL26402718 0.73 KDM4E (0.40) KDM4EALDH1A1LMNARAB9ACCR5
SCHEMBL23663346 0.73 MAPK14 (0.40) KDM4EALDH1A1CCR5MAPTTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780825-B2 Thyroid hormone receptor agonists and use thereof ECCOGENE (SHANGHAI) CO., LTD. (CN) 2023-10-10 — — 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-11780825-B2 Thyroid hormone receptor agonists and use thereof TSHR, THRA, THRB LRRK2 1521/4885NPBWR1 154/4885MCHR1 56/4885

“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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