SCHEMBL23723150

SCHEMBL23723150

O=C(CN1C(=O)Cc2cc(Cl)ccc21)N1C=CN(CCc2ccccc2)C=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.45
ALDH1A1 P00352 2/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
APAF1 O14727 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 3/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38

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
SCHEMBL661117 0.82 MAPK1 (0.50) PTGDR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL27845674 0.76 MAPK1 (0.45) PTGDR2ALDH1A1ALDH2ALDH3A1KMT2A
SCHEMBL2009991 0.75 PTGDR2 (0.49) PTGDR2
SCHEMBL29868599 0.74 KMT2A (0.47) ALDH1A1KMT2AGAAMAPTRAB9A
SCHEMBL661498 0.74 KMT2A (0.47) ALDH1A1KMT2AGAAMAPTRAB9A
SCHEMBL17830713 0.74 USP2 (0.44) PTGDR2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3371437 0.73 HDAC1 (0.44) PTGDR2KMT2AMAPTMEN1USP2
SCHEMBL662321 0.72 HDAC1 (0.41) ALDH1A1KMT2AMAPTMEN1USP2
SCHEMBL661388 0.71 HDAC1 (0.44) PTGDR2KMT2AMAPTMEN1USP2
SCHEMBL12205220 0.69 CCKBR (0.44) PTGDR2ALDH1A1ALDH2ALDH3A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244709-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2021-08-12 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 (1 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-20210244709-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION GRIN2A, CHRNA2, SYNGR2 PTGDR2 2081/4885ALDH1A1 2177/4885ALDH2 1025/4885

“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.