SCHEMBL19420159

SCHEMBL19420159

COC(=O)c1cccc2c(/C=C(\C)[N+](=O)[O-])c[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.55
▸ PIM3 Q86V86 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GAA P10253 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NR4A2 P43354 4/20 0.46
▸ CREBBP Q92793 1/20 0.43
▸ CLEC4M Q9H2X3 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ RRM1 P23921 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL29264058 0.82 PIM1 (0.56) PIM1PIM3ALDH1A1KDM4EL3MBTL1
SCHEMBL29264055 0.82 PIM1 (0.56) PIM1PIM3ALDH1A1KDM4EL3MBTL1
SCHEMBL30561991 0.82 PIM1 (0.56) PIM1PIM3ALDH1A1KDM4EL3MBTL1
SCHEMBL7859259 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL7859256 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL5415543 0.79 PIM1 (0.81) PIM1PIM3ALDH1A1KDM4EL3MBTL1
SCHEMBL11391623 0.78 FBP1 (0.50) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL11391621 0.78 FBP1 (0.50) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL10551337 0.77 KDM4E (0.49) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL10551332 0.77 KDM4E (0.49) ALDH1A1KDM4EL3MBTL1MAPTLMNA

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 PIM1 2379/4885PIM3 3299/4885ALDH1A1 545/4885

“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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