SCHEMBL26752181

SCHEMBL26752181

O=C(OCc1ccccc1)N1CCc2c(Cl)cc(Cl)nc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.55
DHFR P00374 1/20 0.51
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
F2 P00734 1/20 0.47
F12 P00748 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL30422312 0.83 DHFR (0.54) PTGDR2DHFR
SCHEMBL19617491 0.83 DHFR (0.49) PTGDR2DHFRMEN1ALDH1A1GAA
SCHEMBL30422303 0.82 DHFR (0.53) PTGDR2DHFRMEN1ALDH1A1GAA
SCHEMBL23854680 0.80 DHFR (0.60) DHFRMEN1KMT2AKDR
SCHEMBL3337973 0.79 TMEM97 (0.46) PTGDR2DHFRMEN1ALDH1A1GAA
SCHEMBL30420957 0.78 TMEM97 (0.46) PTGDR2DHFRMEN1ALDH1A1GAA
SCHEMBL11091799 0.77 DHFR (0.60) PTGDR2DHFRMEN1KMT2AKDR
SCHEMBL31091972 0.77 DHFR (0.60) PTGDR2DHFRMEN1KMT2AKDR
SCHEMBL28096940 0.77 TMEM97 (0.58) PTGDR2MEN1ALDH1A1GAAMAPT
SCHEMBL25021542 0.76 TMEM97 (0.43) PTGDR2DHFRMEN1ALDH1A1GAA

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-20230357277-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-11-09 US disclosed
US-20230357277-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-11-09 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-20230357277-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS PTGDR2 1730/4885DHFR 393/4885MEN1 465/4885

“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.