SCHEMBL1522424

SCHEMBL1522424

CCOC(=O)c1cccnc1NCC(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
PPIA P62937 2/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK3 P52333 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL1522360 0.84 HTT (0.57) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL1522819 0.83 HTT (0.62) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL1522262 0.83 HTT (0.62) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL1523393 0.83 HTT (0.58) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL28137220 0.81 HTT (0.65) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL2087990 0.80 HTT (0.65) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL4611494 0.79 HTT (0.64) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL1523101 0.79 HTT (0.57) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL6612663 0.78 ALDH1A1 (0.68) HTTPPIATSHRHSD17B10KDM4E
SCHEMBL1522683 0.78 MAPT (0.62) HTTPPIATSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB HTT 4085/4885PPIA 847/4885TSHR 4415/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB HTT 4085/4885PPIA 847/4885TSHR 4415/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 HTT 4340/4885PPIA 794/4885TSHR 4722/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT HTT 3990/4885PPIA 711/4885TSHR 4644/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB HTT 4085/4885PPIA 847/4885TSHR 4415/4885

“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.