SCHEMBL25808017

SCHEMBL25808017

CCCCOC(=O)Cn1ncc2cc(-n3cccn3)c([C@@H](C)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 1/20 0.32
PLA2G4A P47712 2/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30046458 0.86 KCNH2 (0.44) KCNH2MEN1KMT2AMAPTNPC1
SCHEMBL22044747 0.86 KCNH2 (0.44) KCNH2MEN1KMT2AMAPTNPC1
SCHEMBL22046559 0.86 KCNH2 (0.44) KCNH2MEN1KMT2AMAPTNPC1
SCHEMBL22044746 0.85 MEN1 (0.37) KCNH2MEN1KMT2AMAPTPOLB
SCHEMBL22044826 0.84 KCNH2 (0.42) KCNH2MEN1KMT2AMAPTGAA
SCHEMBL21989064 0.83 KCNH2 (0.43) KCNH2MEN1KMT2AMAPTNPC1
SCHEMBL21989062 0.83 KCNH2 (0.43) KCNH2MEN1KMT2AMAPTNPC1
SCHEMBL21989032 0.75 KCNH2 (0.42) KCNH2MEN1KMT2AMAPTGAA
SCHEMBL22044799 0.75 ALDH1A1 (0.39) KCNH2L3MBTL1GAA
SCHEMBL21989000 0.74 KCNH2 (0.45) KCNH2

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 KCNH2 1300/4885MEN1 3178/4885KMT2A 3842/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L KCNH2 1300/4885MEN1 3178/4885KMT2A 3842/4885

“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.