SCHEMBL6079401

SCHEMBL6079401

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CA P42336 5/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KMO O15229 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
SIGMAR1 Q99720 2/20 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
3-Aminobenzamide SCHEMBL6079400 0.93 LMNA (0.43) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL3106043 0.91 KMO (0.46) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL11926366 0.86 GRM4 (0.46) TSHR
SCHEMBL3114681 0.86 AKT1 (0.45) KMT2APIK3CAPOLBLMNAHTT
SCHEMBL3232359 0.83 HTT (0.52) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL3107301 0.81 PIK3CA (0.46) KDM4EPIK3CAPOLBLMNAHTT
SCHEMBL4159940 0.81 CASP7 (0.48) KDM4ETP53TSHRMEN1KMT2A
SCHEMBL3111433 0.80 EPHX2 (0.48)
SCHEMBL3102993 0.80 PIK3CA (0.48) PIK3CAPOLBLMNAHTTHSD17B10
SCHEMBL3117274 0.79 SMN1; SMN2 (0.46) KDM4ETSHRMEN1KMT2APIK3CA

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-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed

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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG KDM4E 3666/4885TP53 1376/4885TSHR 3812/4885

“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.