SCHEMBL19032011

SCHEMBL19032011

O=C(NC(=O)c1ccccc1O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 8/20 0.70
CRHBP P24387 1/20 0.70
CRHR2 Q13324 1/20 0.70
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
CTDSP1 Q9GZU7 2/20 0.64
POLB P06746 1/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
GSTA1 P08263 1/20 0.64
KDM4E B2RXH2 4/20 0.59
GAA P10253 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MPO P05164 1/20 0.59
HIF1A Q16665 1/20 0.59
HTT P42858 3/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL70688 0.89 KDM4E (0.71) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL15372570 0.86 NPC1 (0.55) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL15372514 0.85 KMT2A (0.71) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL12829081 0.85 NPC1 (0.76) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL6638020 0.84 NPC1 (0.74) NPC1RAB9AKMT2AMEN1GSTA1
SCHEMBL6994934 0.83 KDM4E (0.63) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL10904872 0.83 KDM4E (0.63) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL6551911 0.83 GSTA1 (0.58) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL9609242 0.83 NPC1 (0.63) NPC1RAB9ACRHBPCRHR2KMT2A
SCHEMBL5307253 0.83 NPC1 (1.00) NPC1RAB9ACRHBPCRHR2KMT2A

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-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO (US) 2024-04-23 US disclosed
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases THE UNIVERSITY OF CHICAGO 2022-08-16 US disclosed
WO-2021236681-A2 POTENT TETRAHYDROQUINOLONE ELIMINATES APICOMPLEXAN PARASITES THE UNIVERSITY OF CHICAGO (US) 2021-11-25 WO disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 US disclosed
EP-3394032-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES The University of Chicago (US) 2018-10-31 EP disclosed
EP-2964659-B1 PROCESS FOR THE PREPARATION OF DEFERASIROX BIOCON LTD (IN) 2017-08-09 EP disclosed
WO-2017112678-A1 COMPOUNDS AND METHODS FOR TREATING, DETECTING, AND IDENTIFYING COMPOUNDS TO TREAT APICOMPLEXAN PARASITIC DISEASES MCLEOD RIMA (US) 2017-06-29 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 (5 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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB NPC1 111/4885RAB9A 2579/4885CRHBP 3356/4885
US-11964944-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB NPC1 103/4885RAB9A 2536/4885CRHBP 3344/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB NPC1 103/4885RAB9A 2536/4885CRHBP 3344/4885
US-11414385-B2 Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases TUBB1, MYADM, TUBB NPC1 111/4885RAB9A 2579/4885CRHBP 3356/4885
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites CYP11B2, CYP11B1, COX5B NPC1 399/4885RAB9A 1391/4885CRHBP 3402/4885

“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.