SCHEMBL25257540

SCHEMBL25257540

C[C@@H](O)c1nc(OCC(=O)O)ccc1-n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.44
HTT P42858 1/20 0.36
HCRTR2 O43614 4/20 0.36
HCRTR1 O43613 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KCNH2 Q12809 3/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.34
CYP26A1 O43174 1/20 0.33
CYP3A4 P08684 1/20 0.33
TBXAS1 P24557 1/20 0.33
KDM6B O15054 1/20 0.33

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
SCHEMBL25301308 1.00 PTGDR (0.44) PTGDRHTTHCRTR2HCRTR1MEN1
SCHEMBL22045494 0.86 PTGDR (0.34) PTGDRHCRTR2HCRTR1KCNH2CYP2C8
SCHEMBL22045244 0.83 HCRTR2 (0.33) PTGDRHTTHCRTR2HCRTR1MEN1
SCHEMBL21988981 0.81 HCRTR2 (0.40) HCRTR2HCRTR1MEN1KMT2AKCNH2
SCHEMBL21988980 0.81 HCRTR2 (0.40) HCRTR2HCRTR1MEN1KMT2AKCNH2
SCHEMBL21989007 0.81 PTGDR (0.41) PTGDRHTTHCRTR2HCRTR1MEN1
SCHEMBL21989074 0.77 PTGDR (0.48) PTGDRMEN1KMT2AKCNH2CYP2C8
SCHEMBL21988906 0.75 MAPT (0.38) HCRTR2HCRTR1MEN1KMT2AKCNH2
SCHEMBL21988907 0.75 MAPT (0.38) HCRTR2HCRTR1MEN1KMT2AKCNH2
SCHEMBL22046330 0.74 ALDH1A1 (0.41) HCRTR2HCRTR1MEN1KMT2AKCNH2

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-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 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-11702405-B2 Chemical compounds HBZ, HBB, HBS1L PTGDR 623/4885HTT 96/4885HCRTR2 3239/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L PTGDR 623/4885HTT 96/4885HCRTR2 3239/4885

“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.