SCHEMBL2950751

SCHEMBL2950751

C1CC2CC1O2.COc1ccc(C=NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
GFER P55789 2/20 0.52
RAB9A P51151 2/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
MEN1 O00255 1/20 0.44
S100B P04271 1/20 0.43
FGF23 Q9GZV9 1/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 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
SCHEMBL1566908 0.83 KMT2A (0.69) KMT2AMAPTGFERRAB9AGRIN2D
SCHEMBL2445867 0.83 KMT2A (0.69) KMT2AMAPTGFERRAB9AGRIN2D
SCHEMBL1566907 0.83 KMT2A (0.69) KMT2AMAPTGFERRAB9AGRIN2D
Anisaldehyde SCHEMBL2956046 0.79 ALDH1A1 (0.66) KMT2AMAPTRAB9AMEN1CYP1A2
SCHEMBL7311590 0.73 MAPT (0.62) KMT2AMAPTMEN1LMNAHPGD
SCHEMBL2958835 0.72 KDM4E (0.43) KMT2AMAPTHPGDALDH1A1
SCHEMBL8068350 0.72 TRPM8 (0.57) RAB9ALMNAALDH1A1NPC1
P-Anisic Acid SCHEMBL6590201 0.71 CA1 (0.67) RAB9APOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL7447320 0.71 NPC1 (0.49) KMT2AMAPTRAB9APOLBSMN1; SMN2
P-Anisic Acid SCHEMBL6586036 0.70 CA1 (0.65) RAB9APOLBSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750009-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 KMT2A 2516/4885MAPT 2694/4885GFER 2602/4885

“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.