SCHEMBL31159628

SCHEMBL31159628

Cn1c(=O)c2c(nc(NCCO)n2Cc2ccc(OC(F)(F)F)cc2)n(C)c1=O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 14/20 0.80
LMNA P02545 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 3/20 0.63
ALDH1A1 P00352 1/20 0.63
ATM Q13315 1/20 0.63
TP53 P04637 1/20 0.62
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.59
USP2 O75604 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL24770696 0.87 PCSK9 (0.80) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL24769080 0.86 PCSK9 (1.00) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL31575437 0.85 PCSK9 (0.83) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL24770688 0.85 PCSK9 (0.82) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL12604460 0.84 PCSK9 (1.00) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL31575397 0.83 PCSK9 (0.94) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL31575391 0.83 PCSK9 (0.81) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL31575436 0.82 PCSK9 (0.88) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL31575428 0.81 PCSK9 (0.79) PCSK9LMNASMN1; SMN2HTTALDH1A1
SCHEMBL13789898 0.80 TP53 (0.73) PCSK9HTTALDH1A1TP53MAPK1

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-20240352022-A1 GROUP OF IMB-C5 SERIES COMPOUNDS HAVING ANTI-CORONAVIRUS ACTIVITY AND APPLICATION THEREOF INSTITUTE OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2024-10-24 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-20240352022-A1 GROUP OF IMB-C5 SERIES COMPOUNDS HAVING ANTI-CORONAVIRUS ACTIVITY AND APPLICATION THEREOF ACE2, C5, ACE PCSK9 119/4885LMNA 348/4885SMN1; SMN2 3862/4885

“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.