SCHEMBL25940616

SCHEMBL25940616

C=CCCCCNC(=O)c1ccc2c(C(C)=O)nn(CC(C)=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.38
▸ HPGD P15428 7/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ CYP2D6 P10635 4/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDE P14735 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CFD P00746 4/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL20487852 0.93 HPGD (0.38) ALDH1A1HPGDKDM4ECYP2D6CYP2C9
SCHEMBL29854911 0.88 DGAT2 (0.41) ALDH1A1HPGDKDM4ECYP2D6CYP2C9
SCHEMBL20488336 0.88 DGAT2 (0.41) ALDH1A1HPGDKDM4ECYP2D6CYP2C9
SCHEMBL25940527 0.82 QPCT (0.44) ALDH1A1CYP2C19CYP1A2MAPTL3MBTL1
SCHEMBL25940499 0.76 SLC22A12 (0.47) MAPTCFD
SCHEMBL20488379 0.75 QPCT (0.42) ALDH1A1
SCHEMBL20488746 0.75 ACHE (0.35) —
SCHEMBL25940581 0.71 KDM4E (0.32) ALDH1A1KDM4EMAPTSMN1; SMN2CFD
SCHEMBL29855032 0.71 DYRK1A (0.37) CFD
SCHEMBL20488757 0.71 QPCT (0.39) CFD

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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 — — 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 3904/4885HPGD 115/4885KDM4E 3629/4885

“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.

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