SCHEMBL16690921

SCHEMBL16690921

CCN(CCO)C(=O)/C(C#N)=C/c1cc(OC)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ FTO Q9C0B1 2/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ COMT P21964 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.59
▸ EGFR P00533 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL4609378 0.93 MEN1 (0.68) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL4609366 0.93 MEN1 (0.68) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL16689658 0.91 KMT2A (0.58) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL16690919 0.91 MEN1 (0.58) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL16690922 0.85 MEN1 (0.52) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL1405287 0.84 MEN1 (0.77) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL14573318 0.84 MEN1 (0.77) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL1405285 0.84 MEN1 (0.77) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL16160387 0.84 FTO (0.77) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL16689663 0.83 KMT2A (0.57) MEN1KMT2AFTOABCC3ABCC4

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-9266823-B2 Compositions and methods for the treatment of parkinson's disease CELLIX BIO PRIVATE LIMITED (IN) 2016-02-23 — — US disclosed
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 — — 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-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE PARK7, HTT, SNCA MEN1 1288/4885KMT2A 4311/4885FTO 3419/4885

“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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