SCHEMBL798760

SCHEMBL798760

CCc1nc(OC)cc(C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.33
SLC6A3 Q01959 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8343522 0.82 LMNA (0.45) PDE2ASLC6A3LMNASMN1; SMN2KDM4E
SCHEMBL6826219 0.78 SMN1; SMN2 (0.36) PDE2ASLC6A3LMNASMN1; SMN2KDM4E
SCHEMBL10272807 0.75 SLC6A3 (0.48) PDE2ASLC6A3LMNASMN1; SMN2ALDH1A1
SCHEMBL15274617 0.75 PDE2A (0.48) PDE2ANOS3NOS1NOS2LMNA
SCHEMBL17995540 0.75 ESR1 (0.36) NOS3NOS1NOS2
SCHEMBL799392 0.75 LMNA (0.47) PDE2ANOS3NOS1NOS2LMNA
SCHEMBL22576253 0.73 ALDH1A1 (0.42) PDE2ANOS3NOS1NOS2LMNA
SCHEMBL12015842 0.73 NPC1 (0.47) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL2716657 0.73 NOS2 (0.52) NOS3NOS1NOS2ALDH1A1
SCHEMBL1759758 0.71 TDP1 (0.62) LMNAKDM4EALDH1A1L3MBTL1CYP1A2

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PDE2A 763/4885SLC6A3 1363/4885NOS3 208/4885

“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.