SCHEMBL13439759

SCHEMBL13439759

[N-]=[N+]=NC(=O)c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SIGMAR1 Q99720 5/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL3106043 0.84 KMO (0.46) KMT2ASMN1; SMN2CASP7CASP6KDM4E
SCHEMBL3232359 0.83 HTT (0.52) KMT2ASMN1; SMN2CASP7CASP6KDM4E
SCHEMBL3117274 0.81 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2CASP7CASP6KDM4E
SCHEMBL3114681 0.79 AKT1 (0.45) KMT2ASMN1; SMN2ALDH1A1HSD17B10PIK3CA
SCHEMBL3105981 0.77 KMT2A (0.49) KMT2ASMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL6079401 0.76 KDM4E (0.44) KMT2ACASP7CASP6KDM4EHSD17B10
SCHEMBL426533 0.76 SIGMAR1 (0.44) KDM4EHSD17B10SIGMAR1PIK3CDPIK3R1
SCHEMBL11926370 0.75 RAB9A (0.53) KMT2ASMN1; SMN2CASP7CASP6KDM4E
SCHEMBL3117241 0.74 KMT2A (0.46) KMT2ASMN1; SMN2CASP7CASP6KDM4E
SCHEMBL13439842 0.74 KMT2A (0.54) KMT2ASMN1; SMN2ALDH1A1HSD17B10SIGMAR1

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 6 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
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 KMT2A 3672/4885SMN1; SMN2 4828/4885CASP7 870/4885

“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.

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