SCHEMBL20901211

SCHEMBL20901211

CCCCCCCC(CCCCCC)Cc1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ LMNA P02545 2/20 0.36
▸ BDKRB2 P30411 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32

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
SCHEMBL22307825 0.86 FAAH (0.38) FAAHCYP2D6BDKRB2CYP3A4NAAA
SCHEMBL27972329 0.84 FAAH (0.37) FAAHCYP2D6LMNABDKRB2CYP3A4
SCHEMBL29058174 0.79 GRIN2D (0.44) LMNAPRSS1PRSS2PRSS3KCNH2
SCHEMBL21770640 0.79 GRIN2D (0.44) LMNAPRSS1PRSS2PRSS3KCNH2
SCHEMBL19732279 0.79 GRIN2D (0.44) LMNAPRSS1PRSS2PRSS3KCNH2
SCHEMBL28041066 0.78 CSNK1E (0.37) FAAHCSNK1E
SCHEMBL27648727 0.78 KCNH2 (0.50) FAAHCYP2D6LMNACYP3A4NAAA
SCHEMBL9513948 0.78 KCNH2 (0.50) FAAHCYP2D6LMNACYP3A4NAAA
SCHEMBL22308364 0.78 KCNH2 (0.50) FAAHCYP2D6LMNACYP3A4NAAA
SCHEMBL18783298 0.78 KCNH2 (0.50) FAAHCYP2D6LMNACYP3A4NAAA

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-10259775-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-16 — — 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-10259775-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 FAAH 1332/4885CYP2D6 4182/4885LMNA 1599/4885

“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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