SCHEMBL20944735

SCHEMBL20944735

CN(C)c1cc(C(N)=NO)cc(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SCN9A Q15858 3/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM6B O15054 1/20 0.31
TET3 O43151 1/20 0.31
KDM4A O75164 1/20 0.31
BBOX1 O75936 1/20 0.31
MAPT P10636 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5C P41229 1/20 0.31
ASPH Q12797 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
SCHEMBL20944734 1.00 ALOX15 (0.42) ALOX15TSHRHIF1AKDM4EALDH1A1
SCHEMBL20963916 0.84 NQO2 (0.37) ALOX15KDM4EALDH1A1HSD17B10HPGD
SCHEMBL30614589 0.84 NQO2 (0.37) ALOX15KDM4EALDH1A1HSD17B10HPGD
SCHEMBL29278620 0.84 NQO2 (0.37) ALOX15KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20944238 0.76 TDP1 (0.51) ALOX15TSHRHIF1AKDM4EALDH1A1
SCHEMBL20944236 0.76 TDP1 (0.51) ALOX15TSHRHIF1AKDM4EALDH1A1
SCHEMBL3510015 0.75 KDM4E (0.50) ALOX15TSHRHIF1AKDM4EALDH1A1
SCHEMBL20944421 0.73 ALOX15 (0.42) ALOX15TSHRHIF1AKMT2AMAPT
SCHEMBL22396489 0.73 ALOX15 (0.42) ALOX15TSHRHIF1AKDM4EALDH1A1
SCHEMBL20944419 0.73 ALOX15 (0.42) ALOX15TSHRHIF1AKMT2AMAPT

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 ALOX15 438/4885TSHR 925/4885HIF1A 3344/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 ALOX15 438/4885TSHR 925/4885HIF1A 3344/4885

“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.