SCHEMBL24259542

SCHEMBL24259542

CC(C)(O)CCCCc1ccnc(NCCCCCc2nc(C3CC3)no2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 2/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
DNM2 P50570 2/20 0.30

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
SCHEMBL24259680 0.84 MIF (0.36) MERTKHDAC1HDAC8HDAC6
SCHEMBL24259567 0.75 HCRTR1 (0.33) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL22353628 0.70 ITGB3 (0.35) HDAC1HDAC8HDAC6HDAC5L3MBTL1
SCHEMBL24258899 0.67 USP30 (0.40) HRH4HRH3
SCHEMBL17561037 0.66 DNM2 (0.55) MERTKHRH4DNM2
SCHEMBL22353788 0.65 MTNR1A (0.38) L3MBTL1
SCHEMBL22353965 0.65 NR1H4 (0.44) PIK3CG
SCHEMBL13492977 0.65 L3MBTL1 (0.41) HDAC1HDAC8HDAC6HDAC5HSD11B1
SCHEMBL22354171 0.64 NR1H4 (0.37) MERTK
SCHEMBL22352695 0.64 POLB (0.43) HDAC1HDAC8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 MERTK 1723/4885HDAC1 998/4885HDAC8 995/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MERTK 1723/4885HDAC1 998/4885HDAC8 995/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MERTK 1723/4885HDAC1 998/4885HDAC8 995/4885

“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.