SCHEMBL6790938

SCHEMBL6790938

COc1cc(C(N)=NO)cc(OC)c1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6791097 0.85 PRSS1 (0.39) MTNR1AMTNR1BMEN1KMT2AGRM2
SCHEMBL26144387 0.84 RECQL (0.45) RECQLMAPTPOLBSMN1; SMN2MTNR1A
SCHEMBL23201180 0.79 RECQL (0.42) RECQLMAPTPOLBSMN1; SMN2MTNR1A
SCHEMBL23201178 0.79 RECQL (0.42) RECQLMAPTPOLBSMN1; SMN2MTNR1A
SCHEMBL6791575 0.76 GRM2 (0.42) MAPTPOLBGAAMEN1KMT2A
SCHEMBL29573114 0.76 GRM2 (0.42) MAPTPOLBGAAMEN1KMT2A
SCHEMBL6650772 0.75 GPR35 (0.33) MAPTMTNR1AMTNR1BGAAMEN1
SCHEMBL11891918 0.75 SLC7A5 (0.43) GRM2RAB9A
SCHEMBL19256701 0.75 SLC7A5 (0.43) GRM2RAB9A
SCHEMBL18300437 0.73 GRM2 (0.38) RECQLMTNR1AMTNR1BGRM2

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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 RECQL 3327/4885MAPT 4840/4885POLB 3134/4885

“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.