SCHEMBL24259544

SCHEMBL24259544

C=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cc(Br)ccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL24258760 0.87 AKR1C4 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL24259063 0.85 NR1H4 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1HDAC1
SCHEMBL24259440 0.84 AKR1C4 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL24258902 0.81 NR1H4 (0.45)
SCHEMBL22353872 0.80 AKR1C4 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL22354320 0.80 L3MBTL1 (0.33) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL24259023 0.79 NR1H4 (0.47)
SCHEMBL24259195 0.78 NR1H4 (0.51)
SCHEMBL24259303 0.78 NR1H4 (0.52)
SCHEMBL22353497 0.77 AKR1C4 (0.34) AKR1C4AKR1C3AKR1C2AKR1C1

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 AKR1C4 502/4885AKR1C3 344/4885AKR1C2 553/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 AKR1C4 502/4885AKR1C3 344/4885AKR1C2 553/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 AKR1C4 502/4885AKR1C3 344/4885AKR1C2 553/4885

“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.