SCHEMBL25940527

SCHEMBL25940527

C=CCCCNC(=O)Nc1ccc2c(C(C)=O)nn(CC(C)=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 9/20 0.44
▸ EPHX1 P07099 6/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CDK2 P24941 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL20488379 0.93 QPCT (0.42) QPCTEPHX1EPHX2CDK2FLT4
SCHEMBL20488757 0.88 QPCT (0.39) QPCT
SCHEMBL25940616 0.82 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL20488749 0.77 RAB9A (0.38) ALDH1A1CYP1A2CYP2C19RAB9AL3MBTL1
SCHEMBL20488754 0.76 HPGD (0.37) EPHX2ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL20487852 0.75 HPGD (0.38) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL20488746 0.75 ACHE (0.35) —
SCHEMBL20487891 0.73 HPGD (0.35) EPHX2ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL29854881 0.73 HPGD (0.34) EPHX2ALDH1A1CYP1A2CYP2C19RAB9A
SCHEMBL26137038 0.73 GAA (0.43) QPCTALDH1A1CYP1A2RAB9AMAPT

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 QPCT 1565/4885EPHX1 1257/4885EPHX2 729/4885

“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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