SCHEMBL6473595

SCHEMBL6473595

COCNC(=O)C1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.58
ENPP2 Q13822 1/20 0.51
GRIN2B Q13224 7/20 0.50
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.49
MMP7 P09237 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 1/20 0.49
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
PDE4B Q07343 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
CYP3A4 P08684 3/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5115243 0.93 HTT (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5077234 0.93 HTT (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14313090 0.93 HTT (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL895978 0.93 HTT (0.77) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5141182 0.91 HTT (0.60) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26962003 0.86 SMN1; SMN2 (0.67) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26962235 0.86 SMN1; SMN2 (0.67) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16025051 0.84 SMN1; SMN2 (0.68) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL631512 0.84 SMN1; SMN2 (0.68) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14348062 0.84 SMN1; SMN2 (0.68) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO 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 (3 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 HTT 4546/4885SMN1; SMN2 4744/4885NPC1 418/4885
US-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 HTT 4661/4885SMN1; SMN2 3447/4885NPC1 1057/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 HTT 4661/4885SMN1; SMN2 3447/4885NPC1 1057/4885

“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.