SCHEMBL16690918

SCHEMBL16690918

CCN(CCOC(=O)CCCCC1CCSS1)C(=O)/C(C#N)=C/c1cc(OC)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ COMT P21964 1/20 0.43
▸ FTO Q9C0B1 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ EGFR P00533 2/20 0.39
▸ BCHE P06276 3/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ ADRA1D P25100 1/20 0.33

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
SCHEMBL16689664 0.94 MEN1 (0.42) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16689655 0.89 FTO (0.57) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16690920 0.82 MEN1 (0.47) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL4609366 0.77 MEN1 (0.68) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL4609378 0.77 MEN1 (0.68) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16690921 0.77 MEN1 (0.59) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16690919 0.76 MEN1 (0.58) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16689665 0.75 KMT2A (0.47) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16690922 0.73 MEN1 (0.52) MEN1KMT2ALMNAABCC3ABCC4
SCHEMBL16689667 0.70 FTO (0.65) MEN1KMT2ALMNAABCC3ABCC4

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 4311/4885LMNA 3665/4885

“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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