SCHEMBL506581

SCHEMBL506581

O=C(O)Cc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
MAPT P10636 5/20 0.64
POLB P06746 3/20 0.64
KMT2A Q03164 5/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPSE Q9Y251 3/20 0.49

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
SCHEMBL11636658 0.90 LMNA (0.61) GAAMAPTPOLBKMT2AUSP2
SCHEMBL11638476 0.89 GAA (0.71) GAAMAPTPOLBKMT2AMEN1
SCHEMBL11638474 0.84 GAA (0.63) GAAMAPTPOLBKMT2AMEN1
SCHEMBL11642724 0.83 MAPT (0.56) GAAMAPTPOLBKMT2AUSP2
SCHEMBL11626342 0.82 HPSE (0.72) GAAMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL3102305 0.81 GAA (1.00) GAAPOLBKMT2AMEN1KDM4E
Methane SCHEMBL505763 0.81 HPSE (0.70) GAAMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL7238282 0.80 GAA (0.65) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL9074105 0.80 AKR1B1 (0.58) GAAMAPTPOLBKMT2ATSHR
Methane SCHEMBL25304065 0.80 HPSE (0.69) MAPTPOLBSMN1; SMN2KDM4EALDH1A1

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-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
US-4100168-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY AGENTS LILLY INDUSTRIES LTD. (GB) 1978-07-11 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-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 GAA 793/4885MAPT 2292/4885POLB 1804/4885

“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.