SCHEMBL22311571

SCHEMBL22311571

NC[C@H](C(=O)NCc1cccnc1)c1ccoc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
RECQL P46063 1/20 0.51
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FES P07332 1/20 0.44
RET P07949 1/20 0.44
MARK3 P27448 1/20 0.44
TYK2 P29597 1/20 0.44
FLT4 P35916 1/20 0.44

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
SCHEMBL22311540 0.81 KMT2A (0.54) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311542 0.79 PKM (0.52) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311876 0.79 PKM (0.52) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311548 0.75 PKM (0.53) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311845 0.75 ROCK2 (0.54) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311607 0.72 KMT2A (0.55) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311011 0.72 KMT2A (0.55) PKMKMT2ARECQLHTTSMN1; SMN2
SCHEMBL22311610 0.72 GAA (0.67) KMT2AHTTSMN1; SMN2LMNACYP3A4
SCHEMBL22311553 0.72 GAA (0.67) KMT2AHTTSMN1; SMN2LMNACYP3A4
SCHEMBL10311689 0.71 PKM (0.73) PKMKMT2ARECQLHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117869-B2 Compounds, compositions and methods for treatment of myopia AERIE PHARMACEUTICALS, INC. (US) 2021-09-14 US disclosed
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia ALCON INC. (CH) 2020-08-06 US 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-11117869-B2 Compounds, compositions and methods for treatment of myopia MYOC, HDAC8, PDE6C PKM 2147/4885KMT2A 253/4885RECQL 1995/4885
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia MYOC, HDAC8, PDE6C PKM 2147/4885KMT2A 253/4885RECQL 1995/4885

“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.