SCHEMBL21816554

SCHEMBL21816554

OCc1ccc(-c2ccc(OC(F)F)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TP53 P04637 2/20 0.40
ALKBH1 Q13686 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
THRB P10828 2/20 0.39
CYP11B1 P15538 1/20 0.39
FYN P06241 3/20 0.38
DRD1 P21728 1/20 0.38
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL31664992 0.91 KDM1A (0.46) MAPTRAB9AL3MBTL1KDM1ACASP3
SCHEMBL21816553 0.85 RAB9A (0.43) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL9061973 0.85 RAB9A (0.52) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL21816578 0.85 RAB9A (0.43) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL21816576 0.82 RAB9A (0.44) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL9062033 0.82 RAB9A (0.57) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL9062359 0.80 RAB9A (0.65) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL8019903 0.80 CASP3 (0.64) MAPTRAB9AL3MBTL1KDM1ACASP3
SCHEMBL9060886 0.79 RAB9A (0.71) MAPTRAB9AL3MBTL1CASP3SENP8
SCHEMBL1550145 0.79 CHRM5 (0.46) MAPTRAB9AL3MBTL1KDM1ACASP3

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-20240389588-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-11-28 US disclosed
US-12022832-B2 Compounds and methods for treating nematode infections THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-07-02 US disclosed
US-20220354117-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-11-10 US disclosed
WO-2020051689-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 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 (3 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-12022832-B2 Compounds and methods for treating nematode infections HNMT, NISCH, HRH2 MAPT 3317/4885RAB9A 2708/4885L3MBTL1 2062/4885
US-20220354117-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS HNMT, NISCH, HRH2 MAPT 3317/4885RAB9A 2708/4885L3MBTL1 2062/4885
US-20240389588-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS HNMT, NISCH, HRH2 MAPT 3317/4885RAB9A 2708/4885L3MBTL1 2062/4885

“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.