SCHEMBL20180831

SCHEMBL20180831

COc1cccc(OC)c1NC(=N)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
KAT6A Q92794 2/20 0.46
RAB9A P51151 6/20 0.46
HPGD P15428 2/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
BCL3 P20749 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
STAT3 P40763 1/20 0.40
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL21376332 0.81 SMN1; SMN2 (0.51) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20167853 0.81 HPGD (0.51) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20167556 0.81 SMN1; SMN2 (0.68) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20180716 0.79 SMN1; SMN2 (0.49) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20180830 0.78 NPC1 (0.48) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL20167669 0.78 NPC1 (0.48) NPC1SMN1; SMN2KAT6ARAB9AHPGD
SCHEMBL18927599 0.78 SMN1; SMN2 (0.48) NPC1SMN1; SMN2RAB9AHPGDKMT2A
SCHEMBL16489247 0.74 NPC1 (0.44) NPC1SMN1; SMN2KAT6ARAB9AALDH1A1
SCHEMBL16491930 0.73 RAB9A (0.54) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL24090155 0.73 LPAR1 (0.57) NPC1SMN1; SMN2RAB9AKMT2ALMNA

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
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
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

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 NPC1 1604/4885SMN1; SMN2 4751/4885KAT6A 2517/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R NPC1 1604/4885SMN1; SMN2 4751/4885KAT6A 2517/4885

“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.