SCHEMBL25260370

SCHEMBL25260370

O=C(O)Nc1cnn(Cc2cnc(Cl)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ SCD O00767 4/20 0.42
▸ SCD5 Q86SK9 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TCF4 P15884 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39

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
SCHEMBL29483796 0.83 HDAC3 (0.55) ALDH1A1SMN1; SMN2MAPTHDAC3HDAC8
SCHEMBL25308051 0.79 SCD (0.43) ALDH1A1SMN1; SMN2MAPTNPSR1HDAC3
SCHEMBL18795013 0.73 GRM2 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL4516147 0.72 LMNA (0.70) ALDH1A1SMN1; SMN2MAPTHDAC3HDAC8
SCHEMBL29546318 0.66 SIRT6 (0.44) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL17008544 0.66 SIRT6 (0.44) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL30389019 0.66 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30326147 0.66 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3323704 0.66 MAP3K5 (0.51) ALDH1A1MAPT
SCHEMBL18593075 0.65 HDAC3 (0.64) ALDH1A1SMN1; SMN2MAPTNPSR1HDAC3

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-20230416227-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-12-28 — — US disclosed
EP-4210694-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-07-19 — — EP 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-20230416227-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 ALDH1A1 1701/4885SMN1; SMN2 4669/4885MAPT 781/4885

“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.

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