SCHEMBL3379818

SCHEMBL3379818

CC(C)(O)c1ccncc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
THRB P10828 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
AOC1 P19801 2/20 0.41
AOC3 Q16853 2/20 0.41
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
LMNA P02545 2/20 0.34

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
SCHEMBL29689218 0.83 GAA (0.43) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL7812435 0.83 AOC1 (0.43) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL31505115 0.83 AOC1 (0.43) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL31291226 0.77 TDP1 (0.38) ALDH1A1MAPTTDP1LMNACYP2D6
SCHEMBL27842129 0.77 TDP1 (0.38) ALDH1A1MAPTTDP1LMNACYP2D6
SCHEMBL23181516 0.76 KDM4E (0.47) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL30211245 0.75 LOXL2 (0.39) MAPTCYP3A4GSK3BSLC22A12
SCHEMBL1577535 0.75 LOXL2 (0.39) MAPTCYP3A4GSK3BSLC22A12
SCHEMBL526754 0.75 CCNC (0.36) MAPTCYP3A4GSK3BAXLSLC22A12
SCHEMBL971004 0.74 AOC1 (0.43) ALDH1A1MAPTKDM4ETDP1MEN1

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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 ALDH1A1 1053/4885MAPT 4032/4885KDM4E 1109/4885

“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.