SCHEMBL3379896

SCHEMBL3379896

CC1=CC(C)(C)N(C(=O)O)c2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
NPSR1 Q6W5P4 4/20 0.54
MEN1 O00255 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CRHBP P24387 1/20 0.54
CYP2C19 P33261 1/20 0.54
ATM Q13315 1/20 0.54
CRHR2 Q13324 1/20 0.54
TSHR P16473 4/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 6/20 0.47
ALOX12 P18054 5/20 0.47

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
SCHEMBL3379667 0.81 KMT2A (0.51) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL3380584 0.80 KMT2A (0.52) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL3380924 0.80 KMT2A (0.52) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL21750720 0.76 PAX8 (0.44) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL8849533 0.75 LMNA (0.66) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL3379366 0.71 NPSR1 (0.48) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL29677278 0.71 LMNA (0.64) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL7038965 0.71 LMNA (0.64) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL19478438 0.71 LMNA (0.64) KMT2ANPSR1MEN1CYP1A2CYP3A4
SCHEMBL13727140 0.70 NPSR1 (0.80) KMT2ANPSR1MEN1CYP1A2CYP3A4

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 KMT2A 2770/4885NPSR1 64/4885MEN1 2674/4885

“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.