SCHEMBL13854437

SCHEMBL13854437

[N-]=[N+]=NCCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.57
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX12 P18054 1/20 0.36
▸ VDR P11473 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
SCHEMBL17440158 0.84 GAA (0.73) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL14763361 0.84 GAA (0.73) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL6570943 0.82 GAA (0.74) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL24507059 0.81 GAA (0.71) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL22326350 0.78 GAA (0.88) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL29707271 0.77 ALDH1A1 (0.54) ALDH1A1TDP1CYP1A2MEN1KMT2A
SCHEMBL13509920 0.77 ALDH1A1 (0.54) ALDH1A1TDP1CYP1A2MEN1KMT2A
SCHEMBL4853171 0.76 GAA (0.65) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL2538210 0.76 GAA (0.65) GAARECQLALDH1A1TDP1CYP1A2
SCHEMBL14560518 0.76 TDP1 (0.76) GAARECQLALDH1A1TDP1CYP1A2

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-20090124562-A1 Versipelostatin derivative, anti-cancer agent and processes for production of the derivative and agent TOUDAI TLO, LTD. (JP) 2009-05-14 — — US disclosed
US-20090124562-A1 Versipelostatin derivative, anti-cancer agent and processes for production of the derivative and agent TOUDAI TLO, LTD. (JP) 2009-05-14 — — 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-20090124562-A1 Versipelostatin derivative, anti-cancer agent and processes for production of the derivative and agent HSPA4, GRPR, HSPA5 GAA 1448/4885RECQL 4695/4885ALDH1A1 2063/4885

“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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