SCHEMBL19196400

SCHEMBL19196400

C/C=C\n1ncn(CCC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.36
▸ PDE4B Q07343 10/20 0.36
▸ PDE4C Q08493 10/20 0.36
▸ PDE4D Q08499 10/20 0.36
▸ ADORA2A P29274 6/20 0.36
▸ ADORA2B P29275 5/20 0.36
▸ NFE2L2 Q16236 2/20 0.34
▸ TYR P14679 1/20 0.33
▸ PDE1A P54750 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL19195306 1.00 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19195169 0.86 NFE2L2 (0.33) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19195307 0.86 NFE2L2 (0.33) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19196409 0.82 NFE2L2 (0.32) NFE2L2
SCHEMBL19195552 0.82 NFE2L2 (0.32) NFE2L2
SCHEMBL19195310 0.81 NFE2L2 (0.37) NFE2L2
SCHEMBL19196410 0.81 NFE2L2 (0.37) NFE2L2
SCHEMBL19195560 0.80 NFE2L2 (0.33) NFE2L2
SCHEMBL19195309 0.80 NFE2L2 (0.33) NFE2L2
SCHEMBL19195396 0.78 ADORA2B (0.31) ADORA2BNFE2L2

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-9845307-B2 Nrf2 activating compounds and uses thereof MIDCAP FINANCIAL TRUST 2017-12-19 — — US disclosed
US-20170217922-A1 Nrf2 Activating Compounds and Uses Thereof MIDCAP FINANCIAL TRUST 2017-08-03 — — 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-20170217922-A1 Nrf2 Activating Compounds and Uses Thereof NFE2L2, KEAP1, NQO1 PDE4A 984/4885PDE4B 1160/4885PDE4C 1262/4885

“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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