SCHEMBL22311540

SCHEMBL22311540

NC[C@@H](C(=O)NCc1cccnc1)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
PKM P14618 2/20 0.54
RECQL P46063 1/20 0.53
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
GFER P55789 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL22311607 0.89 KMT2A (0.55) KMT2APKMRECQLLMNAMEN1
SCHEMBL22311011 0.89 KMT2A (0.55) KMT2APKMRECQLLMNAMEN1
SCHEMBL22311571 0.81 PKM (0.52) KMT2APKMRECQLLMNAALDH1A1
SCHEMBL8837212 0.79 KMT2A (0.55) KMT2APKMRECQLLMNAMEN1
SCHEMBL22311845 0.77 ROCK2 (0.54) KMT2APKMRECQLLMNAHTT
SCHEMBL22311548 0.77 PKM (0.53) KMT2APKMRECQLLMNAALDH1A1
SCHEMBL22311542 0.76 PKM (0.52) KMT2APKMRECQLLMNAALDH1A1
SCHEMBL22311876 0.76 PKM (0.52) KMT2APKMRECQLLMNAALDH1A1
SCHEMBL15319936 0.76 ALDH1A1 (0.73) KMT2APKMRECQLLMNAMEN1
SCHEMBL10311689 0.73 PKM (0.73) KMT2APKMRECQLLMNAALDH1A1

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 KMT2A 253/4885PKM 2147/4885RECQL 1995/4885
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia MYOC, HDAC8, PDE6C KMT2A 253/4885PKM 2147/4885RECQL 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.