SCHEMBL15722811

SCHEMBL15722811

CCCCCCCCCCCn1cnc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MITF O75030 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ IDO1 P14902 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CES1 P23141 2/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH2 P05091 1/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL15722765 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722763 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722769 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722762 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722810 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722809 0.99 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL7092926 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722808 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL15722761 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MITFLMNAHTT
SCHEMBL25398292 0.81 IDO1 (0.41) ALDH1A1SMN1; SMN2MITFLMNAHTT

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-9278951-B2 Azolium and purinium salt anticancer and antimicrobial agents THE UNIVERSITY OF AKRON (US) 2016-03-08 — — US disclosed
US-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS THE UNIVERSITY OF AKRON 2014-05-22 — — 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-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS PCNA, ITPA, MPI ALDH1A1 3117/4885SMN1; SMN2 3715/4885MITF 3165/4885

“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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