SCHEMBL24259347

SCHEMBL24259347

C=C(F)CCC(=O)N(CCCCCc1nc(C(C)C)no1)c1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC2 Q92769 6/20 0.32
HDAC8 Q9BY41 6/20 0.32
HDAC1 Q13547 5/20 0.32
NPC1 O15118 1/20 0.32
GPX4 P36969 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
MITF O75030 1/20 0.31
IDE P14735 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H4 Q96RI1 4/20 0.31
KDM4E B2RXH2 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
SCHEMBL22354110 0.92 MAPT (0.36) MAPTALOX15TSHRTP53LMNA
SCHEMBL22353548 0.84 MAPT (0.33) MAPTNR1H4
SCHEMBL24259371 0.84 NR1H4 (0.48) MAPTALOX15TSHRTP53LMNA
SCHEMBL24258760 0.83 AKR1C4 (0.36) MAPTNR1H4L3MBTL1
SCHEMBL24259380 0.83 NR1H4 (0.43) NR1H4
SCHEMBL24259278 0.82 NR1H4 (0.44) MAPTNR1H4
SCHEMBL24259343 0.82 NR1H4 (0.51) MAPTNR1H4
SCHEMBL24258927 0.79 MAPT (0.34) MAPTTP53LMNAHTTALDH1A1
SCHEMBL24259504 0.78 MAPT (0.33) MAPTALOX15TSHRLMNAHTT
SCHEMBL24259582 0.78 MAPT (0.35) MAPTTP53LMNAHTTALDH1A1

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 MAPT 398/4885ALOX15 593/4885TSHR 798/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885ALOX15 593/4885TSHR 798/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885ALOX15 593/4885TSHR 798/4885

“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.