SCHEMBL1522426

SCHEMBL1522426

O=c1oc(=O)n(Cc2ccncc2)c2sccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.45
ERCC5 P28715 2/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
PDE1B Q01064 5/20 0.41
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.33
MIF P14174 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL1523762 0.86 ERCC5 (0.57) FEN1ERCC5ERCC1ERCC4PDE1B
SCHEMBL3922160 0.83 KMT2A (0.44) FEN1ERCC5ERCC1ERCC4PDE1B
SCHEMBL18341915 0.80 PDE1B (0.57) FEN1ERCC5ERCC1ERCC4PDE1B
SCHEMBL1522863 0.78 FEN1 (0.54) FEN1ERCC5ALDH1A1CYP1A2CYP2D6
SCHEMBL2206340 0.76 ELANE (0.40) FEN1ERCC5ERCC1ERCC4PDE1B
SCHEMBL1716066 0.74 MIF (0.51) ALDH1A1MIFMEN1KMT2AKDM4E
SCHEMBL2207598 0.74 ELANE (0.38) FEN1ERCC5ERCC1ERCC4PDE1B
SCHEMBL2207892 0.72 HSD17B10 (0.39) FEN1ERCC5ERCC1ERCC4PDE1B
SCHEMBL1523366 0.72 PTGDR2 (0.51) ALDH1A1PTGDR2MEN1KMT2AKDM4E
SCHEMBL5613245 0.71 TDP1 (0.41) FEN1ERCC5ERCC1ERCC4ALDH1A1

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 8 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
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
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 FEN1 1213/4885ERCC5 2973/4885ERCC1 2041/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB FEN1 1213/4885ERCC5 2973/4885ERCC1 2041/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 FEN1 727/4885ERCC5 3536/4885ERCC1 2534/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT FEN1 1845/4885ERCC5 3596/4885ERCC1 3362/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB FEN1 1213/4885ERCC5 2973/4885ERCC1 2041/4885

“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.