SCHEMBL24259680

SCHEMBL24259680

COC(=O)CCCCc1ccnc(NCCCCCc2nc(C3CC3)no2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC1 Q13547 4/20 0.35
HPGD P15428 1/20 0.34
JAK2 O60674 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MERTK Q12866 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 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
SCHEMBL24259542 0.84 MERTK (0.34) HDAC1HDAC6MERTKHDAC8
SCHEMBL24258686 0.81 MIF (0.42) MIFHDAC1HPGDAKR1C4AKR1C3
SCHEMBL24259687 0.77 MIF (0.35) MIFHDAC1HDAC6AKR1C4AKR1C3
SCHEMBL24602576 0.77 CNR2 (0.44) MIFHDAC1AKR1C4AKR1C3AKR1C2
SCHEMBL24258804 0.71 AKR1C4 (0.44) HDAC1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258899 0.70 USP30 (0.40) MTNR1AMTNR1BITGB3ITGAVITGA2B
SCHEMBL24258688 0.69 KDM4E (0.41) CA1CA2HDAC1HPGDHDAC6
SCHEMBL22353628 0.69 ITGB3 (0.35) CA1CA2HDAC1HDAC6AKR1C4
SCHEMBL22350435 0.67 NR1H4 (0.45) HPGDAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22353965 0.67 NR1H4 (0.44) MTNR1AMTNR1B

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 MIF 940/4885CA1 4255/4885CA2 3727/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MIF 940/4885CA1 4255/4885CA2 3727/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MIF 940/4885CA1 4255/4885CA2 3727/4885

“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.