SCHEMBL3114856

SCHEMBL3114856

O=C(O)c1cc(OCC(=O)N2CCCCC2)nc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ FKBP1A P62942 4/20 0.43
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ KMO O15229 1/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ POLB P06746 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL3102993 0.83 PIK3CA (0.48) LMNAHTTKMOPIK3CAPOLB
SCHEMBL3114681 0.83 AKT1 (0.45) LMNASMN1; SMN2HTTKMOPIK3CA
SCHEMBL3107301 0.80 PIK3CA (0.46) LMNAHTTKMOPIK3CAPOLB
SCHEMBL3113861 0.79 PIK3CA (0.59) PIK3CA
SCHEMBL3106043 0.79 KMO (0.46) TP53SMN1; SMN2HTTKMOPIK3CA
SCHEMBL3110537 0.79 PIK3CA (0.45) LMNASMN1; SMN2HTTKMOPIK3CA
SCHEMBL3100457 0.79 ALDH1A1 (0.44) LMNASMN1; SMN2HTTRAB9AHPGD
SCHEMBL3113677 0.78 LMNA (0.51) LMNASMN1; SMN2HTTKMOPIK3CA
SCHEMBL3111878 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2HTTPIK3CAPOLB
SCHEMBL3120773 0.77 KDM4E (0.48) SMN1; SMN2PIK3CAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
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-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO 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 (2 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 TP53 1376/4885LMNA 4101/4885SMN1; SMN2 4828/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG TP53 1376/4885LMNA 4101/4885SMN1; SMN2 4828/4885

“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.

Send feedback