SCHEMBL20189428

SCHEMBL20189428

O=C(Nc1ccccc1C(F)(F)F)c1cccs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
MAPT P10636 3/20 0.66
ALDH1A1 P00352 1/20 0.66
HTT P42858 1/20 0.63
MAPK1 P28482 2/20 0.61
APLNR P35414 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
TSHR P16473 3/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
ATM Q13315 1/20 0.57
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HDAC1 Q13547 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL12666618 0.84 MAPK1 (0.66) MAPTALDH1A1MAPK1APLNRTSHR
SCHEMBL27925948 0.82 RAB9A (0.64) MAPTALDH1A1MAPK1APLNRTSHR
SCHEMBL18906073 0.79 MAPT (0.78) GAAMAPTALDH1A1MAPK1APLNR
SCHEMBL7472106 0.79 MEN1 (0.68) GAAMAPTALDH1A1HTTMAPK1
SCHEMBL28573260 0.79 MAPT (0.63) GAAMAPTALDH1A1HTTMAPK1
SCHEMBL7991476 0.79 MAPT (0.68) GAAMAPTALDH1A1MAPK1APLNR
SCHEMBL30117875 0.79 MEN1 (0.68) GAAMAPTALDH1A1HTTMAPK1
SCHEMBL4717956 0.79 MAPT (0.63) GAAMAPTALDH1A1MAPK1APLNR
Hydrochloric Acid SCHEMBL9049889 0.78 ALDH1A1 (0.97) GAAMAPTALDH1A1HTTMAPK1
SCHEMBL6170575 0.78 POLB (0.67) GAAMAPTALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541805-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS Amgen Inc. (US) 2019-09-25 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 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 (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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R GAA 4208/4885MAPT 4115/4885ALDH1A1 1929/4885

“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.