SCHEMBL663307

SCHEMBL663307

Cc1cc(C(=O)NCCNC(=O)c2ccc([C@H]3CC[C@H](C(C)C(=O)O)CC3)cc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ USP5 P45974 4/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ POLB P06746 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ F10 P00742 1/20 0.37

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
SCHEMBL663308 1.00 SMN1; SMN2 (0.43) SMN1; SMN2LMNAALDH1A1DRD4USP5
SCHEMBL10186181 0.83 DGAT1 (0.47) SMN1; SMN2ALDH1A1DRD4USP5
SCHEMBL664303 0.73 CCR1 (0.47) SMN1; SMN2ALDH1A1USP5IDO1KDM4E
SCHEMBL10185472 0.73 HPGD (0.51) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL9072652 0.71 HPGD (0.54) SMN1; SMN2LMNAALDH1A1DRD4PPARD
SCHEMBL10184835 0.71 HPGD (0.44) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL10184275 0.70 HPGD (0.54) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL22102107 0.70 DGAT1 (0.42) ALDH1A1KDM4EHPGDPOLB
SCHEMBL662783 0.69 DGAT1 (0.46) SMN1; SMN2LMNAKDM4EHPGDPOLB
SCHEMBL662784 0.69 DGAT1 (0.46) SMN1; SMN2LMNAKDM4EHPGDPOLB

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
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 — — EP 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 SMN1; SMN2 4464/4885LMNA 2889/4885ALDH1A1 963/4885

“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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