SCHEMBL3925569

SCHEMBL3925569

O=C(Cl)N1C(=O)OCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NAAA Q02083 1/20 0.39
IDH1 O75874 4/20 0.39
HDAC1 Q13547 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 2/20 0.38
RIPK1 Q13546 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL3925572 1.00 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915731 0.87 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915734 0.87 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL4112764 0.84 ALDH1A1 (0.46) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7881141 0.84 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801381 0.84 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL30032505 0.84 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801378 0.84 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7545798 0.83 ALDH1A1 (0.47) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL16481096 0.81 ALDH1A1 (0.55) ALDH1A1GAAHTTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517876-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-04-14 US disclosed
US-20060287300-A1 Anti-infective agents ABBVIE INC. 2006-12-21 US disclosed
WO-2006093801-A1 THIADIAZINE DERIVATIVES USEFUL AS ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2006-09-08 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 (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-20060287300-A1 Anti-infective agents RPL5, POLI, RPL35 ALDH1A1 2009/4885GAA 122/4885HTT 4064/4885

“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.