SCHEMBL5794074

SCHEMBL5794074

O=C(OCc1ccccc1)N1CC2C=CCC2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
PREP P48147 2/20 0.46
HTR2C P28335 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
GRIN2B Q13224 3/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL16608189 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16601359 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3717717 0.82 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12836007 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3628114 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4504921 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1189222 0.79 MEN1 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL20799603 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16321021 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL24745637 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
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-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMN1; SMN2 3447/4885NPC1 1057/4885RAB9A 838/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMN1; SMN2 3447/4885NPC1 1057/4885RAB9A 838/4885

“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.