SCHEMBL24460809

SCHEMBL24460809

NNc1cccc(F)c1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.36
POLB P06746 2/20 0.36
PTGES2 Q9H7Z7 2/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
EGFR P00533 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL30845257 1.00 KMT2A (0.41) KMT2ASCN9APOLBPTGES2ALDH1A1
SCHEMBL7775162 0.80 SCN9A (0.40) KMT2ASCN9APOLBPTGES2ALDH1A1
SCHEMBL967056 0.77 TAS1R3 (0.39) KMT2APOLBPTGES2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL18172004 0.76 TAS1R3 (0.38) KMT2APOLBPTGES2ALDH1A1SMN1; SMN2
Bromide SCHEMBL20984533 0.76 TAS1R3 (0.38) KMT2APOLBPTGES2ALDH1A1SMN1; SMN2
SCHEMBL6379686 0.75 KMT2A (0.49) KMT2APOLBALDH1A1HTTSMN1; SMN2
SCHEMBL6375248 0.75 SCN9A (0.45) KMT2ASCN9APOLBPTGES2ALDH1A1
SCHEMBL17839656 0.71 KMT2A (0.51) KMT2APOLBPTGES2ALDH1A1HTT
SCHEMBL29666377 0.71 KMT2A (0.51) KMT2APOLBPTGES2ALDH1A1HTT
SCHEMBL900045 0.71 SCN9A (0.42) KMT2ASCN9APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 US disclosed
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 US disclosed
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 US disclosed
WO-2022109161-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO 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-20240025917-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KMT2A 1751/4885SCN9A 2353/4885POLB 4522/4885

“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.