SCHEMBL20944381

SCHEMBL20944381

COC(=O)c1cc(C#N)cc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.42
GPR35 Q9HC97 1/20 0.41
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL30744990 1.00 KDM4E (0.50) KDM4EALDH1A1GAAGPR35CYP1A2
SCHEMBL20944231 0.85 LMNA (0.47) KDM4EALDH1A1GAAGPR35HPGD
SCHEMBL20944473 0.83 HCRTR1 (0.44) KDM4EALDH1A1GAAHPGD
SCHEMBL20944584 0.81 HCRTR1 (0.40) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL20944049 0.81 MAPT (0.39) KDM4EALDH1A1CYP1A2HPGDLMNA
SCHEMBL20944290 0.78 NQO2 (0.39) KDM4EALDH1A1GAAGPR35HPGD
SCHEMBL30745067 0.78 NQO2 (0.39) KDM4EALDH1A1GAAGPR35HPGD
SCHEMBL20944312 0.77 MAPT (0.39) KDM4EALDH1A1GAAGPR35CYP1A2
SCHEMBL30744980 0.77 MAPT (0.39) KDM4EALDH1A1GAAGPR35CYP1A2
SCHEMBL13593209 0.77 ALDH1A1 (0.46) KDM4EALDH1A1GAACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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 (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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 KDM4E 3658/4885ALDH1A1 2602/4885GAA 3864/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 KDM4E 3658/4885ALDH1A1 2602/4885GAA 3864/4885

“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.