SCHEMBL19239989

SCHEMBL19239989

CCNC(=O)C(=C/C=C1\CCCN1C)C(=O)NCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ IDE P14735 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ PSMD14 O00487 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34

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
SCHEMBL19240002 0.80 MEN1 (0.42) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240024 0.77 GLO1 (0.41) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240082 0.74 MEN1 (0.38) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19239990 0.74 MEN1 (0.40) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240046 0.73 CES2 (0.40) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240005 0.71 THRB (0.38) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19239993 0.69 MEN1 (0.34) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240023 0.67 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19038917 0.66 MAPT (0.55) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL14015985 0.63 MEN1 (0.36) KMT2AMEN1MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — 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-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP KMT2A 3201/4885MEN1 977/4885MAPT 14/4885

“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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