SCHEMBL24259316

SCHEMBL24259316

C=C(CCF)C(=O)N(CCCCCc1nc(C(C)(C)C)no1)c1cccc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HDAC2 Q92769 10/20 0.33
HDAC8 Q9BY41 9/20 0.33
HDAC1 Q13547 9/20 0.32
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NR1H4 Q96RI1 5/20 0.31
GPX4 P36969 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL24259559 0.86 HDAC2 (0.33) HDAC2HDAC8HDAC1
SCHEMBL24259504 0.85 MAPT (0.33) MAPTHDAC2HDAC8HDAC1ALOX15
SCHEMBL24602563 0.84 POLB (0.31) MAPTALDH1A1GPX4
SCHEMBL24259017 0.84 AKR1C4 (0.35) MAPTNR1H4NR1I2CYP2C9CYP2C19
SCHEMBL22353568 0.83 NR1H4 (0.47) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259185 0.83 NR1H4 (0.48) MAPTHDAC2HDAC8HDAC1NR1H4
SCHEMBL24259515 0.82 HDAC1 (0.33) MAPTHDAC8HDAC1NR1H4GPX4
SCHEMBL24258917 0.81 NR1H4 (0.49) MAPTHDAC2HDAC8HDAC1NR1H4
SCHEMBL24259307 0.81 NR1H4 (0.49) MAPTHDAC2HDAC8NR1H4
SCHEMBL22353640 0.77 NR1H4 (0.35) NR1H4

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 398/4885HDAC2 1068/4885HDAC8 995/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885HDAC2 1068/4885HDAC8 995/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885HDAC2 1068/4885HDAC8 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.