SCHEMBL10148289

SCHEMBL10148289

NCCNC(=O)c1cc2cc(F)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CLK1 P49759 5/20 0.48
▸ CHRNA7 P36544 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTR3A P46098 2/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ CLK2 P49760 2/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL13753968 0.83 RAB9A (0.55) RAB9APOLBMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6370237 0.80 RAB9A (0.68) RAB9APOLBMEN1KMT2AHDAC2
Hydrochloric Acid SCHEMBL9025468 0.77 CHRNA7 (0.51) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL22397972 0.76 DYRK1A (0.50) RAB9AMEN1KMT2ANPC1CLK1
SCHEMBL4154762 0.76 MEN1 (0.48) RAB9APOLBMEN1KMT2AITGB3
SCHEMBL447565 0.75 HDAC1 (0.49) RAB9AMEN1KMT2ANPC1CLK1
SCHEMBL2897390 0.74 BCL2L1 (0.59) RAB9AMEN1KMT2ANPC1CLK1
SCHEMBL29742282 0.74 BCL2L1 (0.59) RAB9AMEN1KMT2ANPC1CLK1
SCHEMBL4253298 0.73 HDAC1 (0.45) RAB9APOLBMEN1KMT2AITGB3
SCHEMBL19756728 0.72 MEN1 (0.49) RAB9AMEN1KMT2ANPC1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 RAB9A 1660/4885POLB 3114/4885MEN1 2222/4885

“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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