SCHEMBL11926367

SCHEMBL11926367

O=C(Nc1cccc(N2CCCC2)c1)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 2/20 0.45
GRM4 Q14833 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
KIF18A Q8NI77 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AKT1 P31749 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
EPHX2 P34913 3/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 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
SCHEMBL11926380 0.97 SETD2 (0.47) SETD2GRM4KDRSIGMAR1KIF18A
SCHEMBL11926372 0.91 GRM4 (0.44) SETD2GRM4KDRSIGMAR1TSHR
SCHEMBL11926366 0.90 GRM4 (0.46) GRM4KDRAKT1TSHRRXFP1
SCHEMBL427105 0.89 KDR (0.52) GRM4KDRAKT1RXFP1EPHX2
SCHEMBL11926374 0.89 KDM4E (0.51) GRM4ALDH1A1KDRSIGMAR1AKT1
SCHEMBL428647 0.88 ALDH1A1 (0.50) GRM4ALDH1A1SMN1; SMN2KDRAKT1
SCHEMBL11926369 0.88 GRM4 (0.47) GRM4KDRMAPTTSHRRXFP1
SCHEMBL430651 0.88 TSHR (0.56) GRM4ALDH1A1SMN1; SMN2KDRAKT1
SCHEMBL11926398 0.88 GRM4 (0.43) GRM4KDRSIGMAR1RXFP1EPHX2
SCHEMBL426866 0.87 L3MBTL1 (0.47) GRM4ALDH1A1SMN1; SMN2KDRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 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-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG SETD2 3795/4885GRM4 1556/4885ALDH1A1 1381/4885

“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.