SCHEMBL19738041

SCHEMBL19738041

O=Cc1c(O)ccc2nnsc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.45
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL8049666 0.80 ALDH1A1 (0.41) ERN1KDM4EMEN1NPC1RAB9A
SCHEMBL8049847 0.80 NPC1 (0.32) ERN1MEN1NPC1RAB9AKMT2A
SCHEMBL8050518 0.76
SCHEMBL8039228 0.76 ERN1 (0.38) ERN1KDM4EKMT2AL3MBTL1TRIM24
SCHEMBL19737877 0.73 ERN1 (0.47) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL543477 0.72 CYP2A6 (0.43) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL3704781 0.72 ALDH1A1 (0.38) ERN1KDM4EMEN1NPC1RAB9A
SCHEMBL19737884 0.70 ERN1 (0.45) ERN1KDM4EMEN1NPC1HSP90AA1
SCHEMBL8325747 0.70 RAB9A (0.43) ERN1KDM4EMEN1NPC1RAB9A
SCHEMBL29111409 0.70 ERN1 (0.56) ERN1KDM4ERAB9ATRIM24TRIM33

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
US-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 US disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 ERN1 2834/4885KDM4E 1603/4885MEN1 1300/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 ERN1 2834/4885KDM4E 1603/4885MEN1 1300/4885

“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.