SCHEMBL6490141

SCHEMBL6490141

CCCCCCN(CC)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.67
MCHR1 Q99705 1/20 0.59
KDM4E B2RXH2 1/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
SERPINE1 P05121 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR7 P34969 1/20 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
SCHEMBL7095853 0.95 CNR2 (0.60) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL7096588 0.95 CNR2 (0.60) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL7092601 0.93 CNR2 (0.59) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL7611913 0.93 CNR2 (0.67) CNR2MCHR1HTTSMN1; SMN2SERPINE1
SCHEMBL9307801 0.93 CNR2 (0.67) CNR2MCHR1HTTSMN1; SMN2SERPINE1
SCHEMBL7097469 0.93 CNR2 (0.59) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL2469274 0.93 KDM4E (0.59) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL7091255 0.93 CNR2 (0.59) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL7092599 0.93 CNR2 (0.59) CNR2MCHR1KDM4ELMNAHTT
SCHEMBL7091892 0.93 CNR2 (0.59) CNR2MCHR1KDM4ELMNAHTT

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-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US claimed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 CNR2 4537/4885MCHR1 4751/4885KDM4E 4453/4885

“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.