SCHEMBL20053787

SCHEMBL20053787

CCCC(C)c1c(C)nc2ccc(Cl)nn12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TNF P01375 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
SCHEMBL22473865 0.89 PRMT5 (0.33) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL17229852 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL21385780 0.75 DRD2 (0.34) PRMT5WDR77PDE10A
SCHEMBL16265181 0.72 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL18875749 0.72 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL12798307 0.71 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL16010651 0.71 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL22591291 0.69 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL13122629 0.68 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL477062 0.68 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77

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-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 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-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 KDM4E 3774/4885ALDH1A1 3010/4885SMN1; SMN2 3427/4885

“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.