SCHEMBL10148237

SCHEMBL10148237

NCCNC(=O)c1oc(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.48
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.43
NQO2 P16083 1/20 0.41
MAOB P27338 1/20 0.40
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SMO Q99835 1/20 0.38

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
SCHEMBL2447220 0.79 TSHR (0.59) DGAT1TSHRGAA
SCHEMBL10186451 0.74 ACSL1 (0.50) DGAT1
SCHEMBL2790527 0.72 TARBP2 (0.56) DGAT1TSHRGAA
SCHEMBL2448697 0.71 DGAT1 (0.64) DGAT1SMO
SCHEMBL21542356 0.71 HIF1A (0.67) GAAHDAC8
SCHEMBL2442123 0.69 DGAT1 (0.62) DGAT1GAA
SCHEMBL16527638 0.68 DGAT1 (0.57) DGAT1
SCHEMBL11620317 0.68 GAA (0.65) DGAT1TSHRGAAMTNR1AMTNR1B
SCHEMBL13685195 0.67 TSHR (0.67) DGAT1TSHRGAA
SCHEMBL11622449 0.67 GAA (0.64) DGAT1TSHRGAAMTNR1AMTNR1B

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 DGAT1 1/4885TSHR 4189/4885GAA 183/4885

“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.