SCHEMBL25482008

SCHEMBL25482008

COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ KMT2A Q03164 4/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ GAA P10253 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ MEN1 O00255 3/20 0.74
▸ USP2 O75604 2/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP2D6 P10635 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ TSHR P16473 1/20 0.72
▸ CA2 P00918 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.69
▸ NPC1 O15118 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.67
▸ LMNA P02545 1/20 0.67

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
SCHEMBL25482034 0.92 ALDH1A1 (0.82) KMT2AALDH1A1GAAMAPK1MEN1
SCHEMBL25481989 0.84 ALDH1A1 (0.78) KMT2AALDH1A1MEN1USP2CA2
SCHEMBL25482005 0.83 TDP1 (0.70) L3MBTL1KMT2AALDH1A1GAAMAPK1
SCHEMBL25482374 0.82 TDP1 (0.71) L3MBTL1KMT2AALDH1A1GAAMAPK1
SCHEMBL16844168 0.80 KMT2A (0.73) KMT2AALDH1A1GAAMEN1USP2
SCHEMBL2723919 0.78 TP53 (0.73) KMT2AALDH1A1GAAMEN1USP2
SCHEMBL26485952 0.78 CYP1A2 (0.66) L3MBTL1KMT2AALDH1A1GAAMAPK1
SCHEMBL25482037 0.78 ALDH1A1 (0.74) KMT2AALDH1A1GAAMAPK1MEN1
SCHEMBL25482090 0.78 ALDH1A1 (0.74) KMT2AALDH1A1GAAMAPK1MEN1
SCHEMBL25482072 0.77 KMT2A (0.78) KMT2AALDH1A1MAPK1MEN1TSHR

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-20230158028-A1 COMPOUNDS AND METHODS FOR INDUCING UCP1 EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-25 — — US disclosed
US-20230158028-A1 COMPOUNDS AND METHODS FOR INDUCING UCP1 EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-25 — — 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-20230158028-A1 COMPOUNDS AND METHODS FOR INDUCING UCP1 EXPRESSION TFAM, FABP4, CPT2 L3MBTL1 1144/4885KMT2A 2830/4885ALDH1A1 1604/4885

“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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