SCHEMBL13812239

SCHEMBL13812239

N#Cc1cc(C(=O)Nc2cncnc2N)ccc1OI

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC1 Q13547 3/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
VNN1 O95497 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL4143545 0.85 EGFR (0.44) LMNACYP3A4HDAC1KCNQ3KCNQ2
SCHEMBL11237461 0.78 KMT2A (0.55) LMNACYP1A2CYP3A4
SCHEMBL2534052 0.72 VNN1 (0.54) LMNAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9564871 0.72 HDAC1 (0.54) LMNACYP1A2CYP3A4HDAC1KCNQ3
SCHEMBL4152465 0.71 VNN1 (0.53) KCNQ3KCNQ2KCNE1KCNQ1VNN1
SCHEMBL13812238 0.68 ALDH1A1 (0.60) LMNA
SCHEMBL14542868 0.64 KCNQ3 (0.66) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11247512 0.64 IRAK4 (0.54) HDAC1HDAC8HDAC6
SCHEMBL13568602 0.62 ALDH1A1 (0.55) LMNACYP1A2CYP3A4VNN1
SCHEMBL15907192 0.62 KIT (0.44) VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149452-A1 XANTHINE OXIDASE INHIBITOR NIPPON CHEMIPHAR CO., LTD. (JP) 2009-06-11 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 (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-20090149452-A1 XANTHINE OXIDASE INHIBITOR XDH, PNPO, CBR1 LMNA 2053/4885CYP1A2 74/4885CYP3A4 294/4885

“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.