SCHEMBL22222472

SCHEMBL22222472

COc1cc(F)c(C(C)=O)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.42
POLB P06746 2/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
S100B P04271 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL2215207 0.86 ALDH1A1 (0.50) HTTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL31314518 0.85 HTT (0.62) HTTLMNAKDM4ECYP3A4MAPK1
SCHEMBL6779197 0.85 HTT (0.62) HTTLMNAKDM4ECYP3A4MAPK1
SCHEMBL6371675 0.83 CYP3A4 (0.55) HTTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL2848241 0.83 HTT (0.50) HTTLMNAALDH1A1KDM4ECYP3A4
SCHEMBL20794479 0.82 L3MBTL1 (0.41) HTTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL17786331 0.80 HTT (0.72) HTTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL13927530 0.80 HTT (0.47) HTTLMNAALDH1A1KDM4ECYP3A4
SCHEMBL26027709 0.79 KDM4E (0.56) HTTLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL13862133 0.79 BRD4 (0.38) ALDH1A1TSHRHSD17B1HSD17B2

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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 HTT 987/4885LMNA 227/4885ALDH1A1 1235/4885

“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.