SCHEMBL10313474

SCHEMBL10313474

O=[N+]([O-])c1cccc(C2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccccc5)nc4c32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.51
▸ MYB P10242 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ACHE P22303 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ATM Q13315 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.39
▸ F12 P00748 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL10313799 0.87 MYB (0.50) HPGDMYBKDM4EALDH1A1TP53
SCHEMBL10313469 0.85 MYB (0.53) HPGDMYBKDM4EALDH1A1TP53
SCHEMBL10313472 0.83 HPGD (0.50) HPGDMYBKDM4EALDH1A1TP53
SCHEMBL10313468 0.81 MYB (0.54) MYBKDM4EACHEMAPTATM
SCHEMBL10313467 0.80 RAD52 (0.56) MYBKDM4EACHEMAPTATM
SCHEMBL10313471 0.72 MYB (0.44) MYBKDM4EACHEMAPTATM
SCHEMBL8543444 0.68 MYB (0.70) HPGDMYBALDH1A1ACHEMAPT
SCHEMBL8542128 0.68 MYB (1.00) MYBKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL8541683 0.67 MYB (0.67) MYBKDM4EALDH1A1L3MBTL1ACHE
SCHEMBL8541677 0.66 MYB (0.66) MYBKDM4EALDH1A1L3MBTL1ACHE

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 — — 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 HPGD 1664/4885MYB 4087/4885KDM4E 3483/4885

“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.

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