SCHEMBL22713062

SCHEMBL22713062

O=C1C=CCCCN1C(=O)C=Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ TP53 P04637 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ PSMB11 A5LHX3 1/20 0.49
▸ PSMA7 O14818 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ FOXO3 O43524 1/20 0.49
▸ MITF O75030 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PSMB1 P20618 1/20 0.49
▸ PSMA1 P25786 1/20 0.49
▸ PSMA2 P25787 1/20 0.49
▸ PSMA3 P25788 1/20 0.49
▸ PSMA4 P25789 1/20 0.49

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
SCHEMBL21040478 1.00 ALDH1A1 (0.49) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL21040476 0.85 MAPT (0.49) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL22713008 0.85 MAPT (0.49) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL15432080 0.82 ALDH1A1 (0.64) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL21039211 0.80 IDO1 (0.45) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL22713044 0.80 IDO1 (0.45) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL22713018 0.80 IDO1 (0.47) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL21039214 0.80 IDO1 (0.47) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL22713041 0.79 IDO1 (0.44) ALDH1A1TP53LMNAMAPTRAB9A
SCHEMBL21039898 0.79 IDO1 (0.44) ALDH1A1TP53LMNAMAPTRAB9A

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 4 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — 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 (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 ALDH1A1 421/4885TP53 1020/4885LMNA 3475/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 ALDH1A1 228/4885TP53 148/4885LMNA 2273/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS ALDH1A1 251/4885TP53 172/4885LMNA 2275/4885

“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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