SCHEMBL5582971

SCHEMBL5582971

CNC(=O)c1ccc(OC)cc1.c1ccc2c(c1)N2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.74
F10 P00742 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL837307 0.86 PLK1 (1.00) PLK1F10SMN1; SMN2HPGDTSHR
Hydrochloric Acid SCHEMBL11037223 0.84 PLK1 (0.96) PLK1F10SMN1; SMN2HPGDTSHR
Methyl 4-Methoxybenzoate SCHEMBL5582912 0.83 CA1 (0.72) F10SMN1; SMN2TSHRCA1CA2
P-Anisic Acid SCHEMBL5584037 0.81 CA1 (0.71) SMN1; SMN2HPGDCA1CA2CYP1A2
SCHEMBL23484773 0.81 PLK1 (0.89) PLK1F10SMN1; SMN2HPGDTSHR
SCHEMBL14722006 0.81 PLK1 (0.89) PLK1F10SMN1; SMN2HPGDTSHR
SCHEMBL5582839 0.80 PARP10 (0.72) F10CA1CA2ALDH1A1NPC1
Phosphonic Acid SCHEMBL1060959 0.80 PLK1 (0.85) PLK1F10SMN1; SMN2HPGDTSHR
SCHEMBL28690251 0.78 NPC1 (0.71) PLK1F10SMN1; SMN2HTTCA1
SCHEMBL8717056 0.77 PLK1 (0.80) PLK1F10SMN1; SMN2HTTCA1

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-20070054894-A1 Quinazoline potassium channel inhibitors MERCK & CO., INC. (US) 2007-03-08 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-20070054894-A1 Quinazoline potassium channel inhibitors KCNJ2, KCNH2, KCNH3 PLK1 323/4885F10 4036/4885SMN1; SMN2 4527/4885

“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.