SCHEMBL4057528

SCHEMBL4057528

Cn1c(C=Cc2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.74
MAPT P10636 5/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPK1 P28482 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 2/20 0.66
NCOA1 Q15788 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48

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
SCHEMBL4057527 1.00 MITF (0.74) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL24451139 0.86 MAPT (0.72) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL6511554 0.85 MAPT (0.67) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL6511560 0.85 MAPT (0.67) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL17616161 0.78 MEN1 (1.00) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL6509381 0.74 MAPT (0.78) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL6509384 0.74 MAPT (0.78) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL480762 0.74 LMNA (0.67) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL480760 0.74 LMNA (0.67) MITFMAPTMEN1KMT2AALDH1A1
SCHEMBL5743189 0.69 POLB (0.50) MITFMAPTMEN1KMT2ASMN1; SMN2

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-7504398-B2 potent and selective antagonists of adenosine receptors; Parkinson's disease, asthma, allergies, inflammation, atherosclerosis, hypertension, gastrointestinal disorders, cell proliferation and autoimmune diseases; sulfonamidation LABORATORIOS ALMIRALL S.A. (ES) 2009-03-17 US disclosed
US-20050261248-A1 New-4-pyrrolopyrimidin-6-YL)benzenesulphonamide derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2005-11-24 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-20050261248-A1 New-4-pyrrolopyrimidin-6-YL)benzenesulphonamide derivatives ADORA2B, ADORA2A, ADORA3 MITF 3728/4885MAPT 4635/4885MEN1 4548/4885

“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.