SCHEMBL20501735

SCHEMBL20501735

O=C(O)NCc1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
GABRR1 P24046 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
SCHEMBL18281971 0.83 SMN1; SMN2 (0.33) SMN1; SMN2NPSR1
SCHEMBL16136378 0.83 NPSR1 (0.50) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL13734799 0.81 MAPT (0.33) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL19347394 0.80 HSD17B10 (0.34) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL4759340 0.80 NPC1 (0.51) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL7994725 0.79 L3MBTL1 (0.33) SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16133692 0.79 MAPT (0.40) SMN1; SMN2POLBALDH1A1
SCHEMBL6603660 0.79 SMN1; SMN2 (0.37) SMN1; SMN2POLBKMT2AALDH1A1MEN1
SCHEMBL24306043 0.79 RIPK1 (0.33) GAA
SCHEMBL22344275 0.78 NR4A2 (0.34)

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
EP-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP claimed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO claimed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 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 (1 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-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 SMN1; SMN2 4590/4885CYP1A2 494/4885CYP2D6 1529/4885

“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.