SCHEMBL7036408

SCHEMBL7036408

CCOC(=O)CCCCn1c(OC)nc(N)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.47
▸ EP300 Q09472 6/20 0.45
▸ FAAH O00519 3/20 0.43
▸ GAA P10253 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
SCHEMBL7040835 0.96 TNF (0.50) TNFGAA
SCHEMBL7038766 0.84 KDM4E (0.46) —
SCHEMBL7036369 0.81 MTNR1A (0.38) TNF
SCHEMBL6778694 0.80 PDE4D (0.35) —
SCHEMBL9412552 0.75 TNF (0.53) TNFEP300
SCHEMBL6106716 0.69 CYP4F2 (0.45) EP300
SCHEMBL4251804 0.69 TNF (0.56) TNF
SCHEMBL10970598 0.69 TNF (0.57) TNFFAAH
SCHEMBL9305415 0.67 ALDH1A1 (0.44) GAA
SCHEMBL17807346 0.67 TNF (0.58) TNFGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
US-20030114414-A1 Methods for synthesizing substituted pyrimidines NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
WO-2003011297-A1 N3-SUBSTITUTED 6-ANILINOPYRIMIDINES AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS (US) 2003-02-13 — — WO disclosed
WO-2002102769-A2 METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES UNIVERSITY OF MASSACHUSETTS (US) 2002-12-27 — — WO 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 (2 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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections MPHOSPH6, MRPS18A, PNP TNF 4650/4885EP300 1275/4885FAAH 3810/4885
US-20030114414-A1 Methods for synthesizing substituted pyrimidines TYMP, NUDT1, TYMS TNF 4682/4885EP300 2321/4885FAAH 3973/4885

“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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