SCHEMBL5483849

SCHEMBL5483849

Cc1nc(O)c(Cc2ccccc2)c(O)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CALM1 P0DP23 1/20 0.42
BRD4 O60885 1/20 0.41
IDH1 O75874 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL7604776 0.80 CYP2D6 (0.46) SMN1; SMN2TSHRHTTGAACYP2C9
SCHEMBL9741308 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL5474022 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL5474691 0.78 OPRM1 (0.45) SMN1; SMN2ALDH1A1HPGDCALM1
SCHEMBL6420389 0.77 TLR8 (0.55) ALDH1A1HPGD
SCHEMBL5477397 0.75 CALM1 (0.46) SMN1; SMN2ALDH1A1TSHRHTTGAA
SCHEMBL29277071 0.75 TSHR (0.35) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL17358224 0.72 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1TSHRGAAMEN1
SCHEMBL3524860 0.72 CYP2C9 (0.50) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL1442779 0.72 NPC1 (0.54) SMN1; SMN2ALDH1A1MAPTHTTMEN1

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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
EP-1718305-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES Bayer CropScience AG (DE) 2006-11-08 EP disclosed
WO-2005079798-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES BAYER CROPSCIENCE AG (DE) 2005-09-01 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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides DPYD, DHFR, TYMP SMN1; SMN2 3837/4885ALDH1A1 697/4885MAPT 2578/4885

“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.