SCHEMBL22024176

SCHEMBL22024176

CC(=O)COCCOCCNC(=O)COCCOCCNC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CES2 O00748 1/20 0.35
GLP1R P43220 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
FAAH O00519 1/20 0.31
NCF1 P14598 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL23664671 0.90 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ACES2
SCHEMBL25729639 0.90 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ACES2
SCHEMBL17808690 0.87 CES2 (0.44) KDM4EALDH1A1MEN1KMT2ACES2
SCHEMBL26376485 0.87 CES2 (0.44) KDM4EALDH1A1MEN1KMT2ACES2
SCHEMBL20993534 0.86 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2AGLP1R
SCHEMBL25727663 0.84 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AGLP1R
SCHEMBL23879816 0.84 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14790275 0.84 MEN1 (0.41) KDM4EALDH1A1MEN1KMT2AGLP1R
SCHEMBL13034778 0.83 MEN1 (0.42) KDM4EALDH1A1MEN1KMT2ACES2
SCHEMBL12980779 0.83 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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-11248000-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-05-28 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-11248000-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB KDM4E 4559/4885ALDH1A1 3311/4885MEN1 153/4885
US-20200165262-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB KDM4E 4559/4885ALDH1A1 3311/4885MEN1 153/4885

“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.