SCHEMBL20167556

SCHEMBL20167556

COc1cccc(OC)c1NC(=O)c1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.63
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
BCL3 P20749 1/20 0.58
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KAT6A Q92794 1/20 0.56
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL17554067 0.82 RAB9A (0.67) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL20167853 0.81 HPGD (0.51) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL21376332 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL20180831 0.81 NPC1 (0.55) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6453448 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9ALMNAKAT6A
SCHEMBL26066202 0.79 MAPT (0.54) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL20180716 0.79 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL21870134 0.78 KCNK3 (0.68) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL23083259 0.78 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL20180830 0.78 NPC1 (0.48) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541810-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R SMN1; SMN2 4751/4885NPC1 1604/4885RAB9A 1186/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R SMN1; SMN2 4751/4885NPC1 1604/4885RAB9A 1186/4885

“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.