SCHEMBL24258740

SCHEMBL24258740

O=CCCCCc1nc(C2CC2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34
LDHA P00338 2/20 0.34
GAA P10253 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CA12 O43570 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL24602586 0.91 CNR2 (0.37) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13492977 0.78 L3MBTL1 (0.41) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24259698 0.78 L3MBTL1 (0.41) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258911 0.76 GAA (0.40) L3MBTL1MEN1KMT2APOLBGAA
SCHEMBL24258801 0.76 HDAC1 (0.38) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258804 0.76 AKR1C4 (0.44) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7292062 0.74 HSD11B1 (0.38) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24259025 0.74 POLB (0.41) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258699 0.73 MAPT (0.39) L3MBTL1HDAC1HDAC8
SCHEMBL28956020 0.72 POLB (0.43) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1

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 L3MBTL1 4270/4885AKR1C4 502/4885AKR1C3 344/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 L3MBTL1 4270/4885AKR1C4 502/4885AKR1C3 344/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 L3MBTL1 4270/4885AKR1C4 502/4885AKR1C3 344/4885

“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.