SCHEMBL20189213

SCHEMBL20189213

COc1cccc(OC)c1NC(=NN)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20189212 1.00 RAB9A (0.43) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL20188232 0.81 POLB (0.39) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL20188228 0.81 POLB (0.39) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL23026125 0.79 HPGD (0.41) RAB9ANPC1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL5691055 0.78 RAB9A (0.63) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL20188385 0.78 ALDH1A1 (0.48) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL20201167 0.77 KMT2A (0.51) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL20201311 0.75 S1PR2 (0.36) RAB9ANPC1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL20189753 0.75 S1PR2 (0.36) RAB9ANPC1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL20189755 0.75 S1PR2 (0.36) RAB9ANPC1KDM4ESMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR 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 (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-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR RAB9A 890/4885NPC1 2729/4885KDM4E 4612/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR RAB9A 890/4885NPC1 2729/4885KDM4E 4612/4885

“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.