SCHEMBL3379455

SCHEMBL3379455

CC1(C)OC(=O)Nc2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
KCNH2 Q12809 1/20 0.39
PGR P06401 12/20 0.38
GSK3B P49841 1/20 0.38
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
PSMB1 P20618 1/20 0.34
AKR1B1 P15121 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
SCHEMBL1700113 0.73 KCNH2 (0.55) KCNH2SMN1; SMN2MAPT
SCHEMBL828332 0.73 KCNH2 (0.47) NPC1KCNH2
SCHEMBL2268820 0.73 PDK2 (0.50) NPC1PGRGSK3BCYP1A2SMN1; SMN2
SCHEMBL31404120 0.73 PDK2 (0.50) NPC1PGRGSK3BCYP1A2SMN1; SMN2
SCHEMBL30032831 0.72 PGR (0.37) PGRNR3C1NR3C2AR
Hydrochloric Acid SCHEMBL441040 0.72 KCNH2 (0.47) NPC1KCNH2
SCHEMBL13004676 0.71 NPC1 (0.46) NPC1GSK3BCYP1A2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30775696 0.71 PDK2 (0.48) NPC1GSK3BCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL19664227 0.71 GSK3B (0.38) NPC1GSK3BCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL14818906 0.71 PGR (0.39) PGRNR3C1NR3C2AR

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 NPC1 2442/4885KCNH2 757/4885PGR 288/4885

“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.