SCHEMBL22348757

SCHEMBL22348757

O=C(O)/C=C/c1cccc(NCC23CCC(c4ccc(Br)cc4)(CC2)CC3)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PRMT1 Q99873 1/20 0.40
HDAC4 P56524 7/20 0.40
MEF2D Q14814 7/20 0.40
SIRT1 Q96EB6 1/20 0.39
RHOA P61586 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL22347911 0.91 PKM (0.49) PKML3MBTL1PRMT1HDAC4MEF2D
SCHEMBL22350273 0.89 NR1H4 (0.48) PKMHDAC4MEF2DSIRT1MEN1
SCHEMBL22347817 0.87 THRB (0.53) PKML3MBTL1HDAC4MEF2DMEN1
SCHEMBL22350274 0.85 CCNB2 (0.35) MAOB
SCHEMBL22347648 0.84 NR1H4 (0.32) HDAC4MEF2D
SCHEMBL22350200 0.81 NR1H4 (0.48) PKMSIRT1MEN1KMT2AGLA
SCHEMBL29901055 0.81 NR1H4 (0.48) PKMSIRT1MEN1KMT2AGLA
SCHEMBL22348075 0.79 PARP1 (0.40) L3MBTL1MEN1KMT2AMAPTNPSR1
SCHEMBL22350237 0.78 NR1H4 (0.59) HDAC4MEF2DSIRT1MEN1KMT2A
SCHEMBL29900950 0.78 NR1H4 (0.59) HDAC4MEF2DSIRT1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 US disclosed
EP-3924333-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168149-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO 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 (2 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 PKM 3271/4885L3MBTL1 1645/4885PRMT1 1544/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PKM 3271/4885L3MBTL1 1645/4885PRMT1 1544/4885

“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.