SCHEMBL21039214

SCHEMBL21039214

O=C1C=CCCCN1C(=O)/C=C/c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PSMB11 A5LHX3 1/20 0.42
▸ PSMA7 O14818 1/20 0.42
▸ FOXO3 O43524 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMA1 P25786 1/20 0.42
▸ PSMA2 P25787 1/20 0.42
▸ PSMA3 P25788 1/20 0.42
▸ PSMA4 P25789 1/20 0.42

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
SCHEMBL22713018 1.00 IDO1 (0.47) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL17459697 0.92 IDO1 (0.55) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL17459702 0.92 IDO1 (0.55) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL21039211 0.86 IDO1 (0.45) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL22713044 0.86 IDO1 (0.45) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL22713041 0.84 IDO1 (0.44) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL21039898 0.84 IDO1 (0.44) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL22713004 0.81 MAPT (0.53) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL21039212 0.81 MAPT (0.53) IDO1ALDH1A1MAPTLMNARAB9A
SCHEMBL22713062 0.80 ALDH1A1 (0.49) IDO1ALDH1A1MAPTLMNARAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — US claimed
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 — — US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 — — US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 — — US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — US disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 — — WO 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 (3 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO IDO1 154/4885ALDH1A1 421/4885MAPT 2707/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 IDO1 1611/4885ALDH1A1 228/4885MAPT 2532/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS IDO1 1483/4885ALDH1A1 251/4885MAPT 2454/4885

“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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