SCHEMBL15815752

SCHEMBL15815752

CCOC(=O)c1nnn(Cc2cccc3ccccc23)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALOX12 P18054 1/20 0.44
▸ CDC25B P30305 2/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25C P30307 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL17225764 0.81 CYP19A1 (0.55) CYP19A1KMT2ATP53KDM4EMAPK1
SCHEMBL3180834 0.74 SLC22A12 (0.47) MAPTALDH1A1KMT2ALMNATP53
SCHEMBL15897060 0.73 CYP19A1 (0.54) CYP19A1MAPTALDH1A1HSD17B10KMT2A
SCHEMBL6842436 0.72 CDC25B (0.57) MAPTALDH1A1KMT2ALMNATP53
SCHEMBL15937241 0.71 TP53 (0.54) CYP19A1ALDH1A1KMT2ATP53TSHR
SCHEMBL31124036 0.71 CYP19A1 (0.44) CYP19A1MAPTKMT2ALMNATP53
SCHEMBL10463769 0.71 ALDH1A1 (0.54) MAPTALDH1A1HSD17B10KMT2ALMNA
SCHEMBL6842431 0.70 LMNA (0.46) MAPTALDH1A1KMT2ALMNAHPGD
SCHEMBL3606815 0.70 MAPT (0.46) MAPTALDH1A1KMT2ALMNATP53
SCHEMBL10669971 0.69 ALDH1A1 (0.55) CYP19A1MAPTALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173892-B2 Acadesine derivatives, products and compositions including same, therapeutic uses thereof, and methods for synthesizing same UNIVERSITE NICE SOPHIA ANTIPOLIS (FR) 2015-11-03 — — US claimed
EP-2699240-B1 ACADESINE DERIVATIVES, PRODUCTS AND COMPOSITIONS INCLUDING SAME, THERAPEUTIC USES THEREOF, AND METHODS FOR SYNTHESIZING SAME UNIVERSITÉ NICE SOPHIA ANTIPOLIS (FR) 2015-05-27 — — EP claimed
US-20140179626-A1 ACADESINE DERIVATIVES, PRODUCTS AND COMPOSITIONS INCLUDING SAME, THERAPUETIC USES THEREOF, AND METHODS FOR SYNTHESIZING SAME INSTITUT NATIONAL DE LA SANTE DE LA RECHERCHE MEDICALE (FR) 2014-06-26 — — US claimed
US-9173892-B2 Acadesine derivatives, products and compositions including same, therapeutic uses thereof, and methods for synthesizing same UNIVERSITE NICE SOPHIA ANTIPOLIS (FR) 2015-11-03 — — US disclosed
US-20150094217-A1 TEST FOR DIAGNOSING RESISTANCE TO AZACITIDINE UNIVERSITÉ NICE SOPHIA ANTIPOLIS (FR) 2015-04-02 — — US disclosed
US-20140179626-A1 ACADESINE DERIVATIVES, PRODUCTS AND COMPOSITIONS INCLUDING SAME, THERAPUETIC USES THEREOF, AND METHODS FOR SYNTHESIZING SAME INSTITUT NATIONAL DE LA SANTE DE LA RECHERCHE MEDICALE (FR) 2014-06-26 — — 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-20140179626-A1 ACADESINE DERIVATIVES, PRODUCTS AND COMPOSITIONS INCLUDING SAME, THERAPUETIC USES THEREOF, AND METHODS FOR SYNTHESIZING SAME MCL1, ALOX15, ALOX12 CYP19A1 1996/4885MAPT 4374/4885ALDH1A1 1038/4885

“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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