SCHEMBL20944112

SCHEMBL20944112

NC(=NO)c1ccnc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 5/20 0.65
KDM5B Q9UGL1 5/20 0.65
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 4/20 0.65
KDM4A O75164 4/20 0.65
KDM3A Q9Y4C1 3/20 0.65
ALKBH5 Q6P6C2 3/20 0.65
FTO Q9C0B1 3/20 0.65
KDM6B O15054 2/20 0.65
KDM2A Q9Y2K7 2/20 0.65
KDM5A P29375 2/20 0.65
TET3 O43151 1/20 0.65
BBOX1 O75936 1/20 0.65
MAPT P10636 1/20 0.65
ASPH Q12797 1/20 0.65
KDM4D Q6B0I6 1/20 0.65
TET2 Q6N021 1/20 0.65
KDM7A Q6ZMT4 1/20 0.65
KDM8 Q8N371 1/20 0.65
TET1 Q8NFU7 1/20 0.65

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
SCHEMBL20944111 1.00 KDM5C (0.65) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL6975486 0.86 FTO (0.65) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL2225645 0.86 FTO (0.65) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL2225644 0.86 FTO (0.65) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL17712926 0.82 KDM4E (0.74) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL20963646 0.81 KDM4E (0.48) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL28410948 0.81 KDM4E (0.48) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL72377 0.79 KDM5C (1.00) KDM5CKDM5BALDH1A1KDM4EKDM4A
SCHEMBL29382783 0.79 KDM5C (1.00) KDM5CKDM5BALDH1A1KDM4EKDM4A
Hydrochloric Acid SCHEMBL9361001 0.77 KDM5C (0.96) KDM5CKDM5BALDH1A1KDM4EKDM4A

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
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
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN 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 KDM5C 3753/4885KDM5B 3425/4885ALDH1A1 2602/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 KDM5C 3753/4885KDM5B 3425/4885ALDH1A1 2602/4885

“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.