SCHEMBL407789

SCHEMBL407789

NCCNC(=O)c1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.65
HDAC2 Q92769 5/20 0.65
NR4A2 P43354 1/20 0.57
HTR3A P46098 2/20 0.51
CREBBP Q92793 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.46
RORC P51449 2/20 0.45
TNFSF11 O14788 2/20 0.44
HDAC3 O15379 1/20 0.43
MAOB P27338 1/20 0.43
TNF P01375 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
SCHEMBL3996474 0.84 NR4A2 (0.64) HDAC1HDAC2NR4A2HTR3ACA12
SCHEMBL408830 0.83 HDAC1 (0.49) HDAC1HDAC2CREBBPLMNARORC
Hydrochloric Acid SCHEMBL441849 0.82 HDAC1 (0.48) HDAC1HDAC2CREBBPLMNARORC
SCHEMBL27381201 0.79 CA1 (0.59) HDAC1HDAC2CA12CA1CA2
SCHEMBL10321788 0.79 NR4A2 (0.64) HDAC1HDAC2NR4A2HTR3ACA12
SCHEMBL27381191 0.78 HDAC1 (0.56) HDAC1HDAC2NR4A2LMNARORC
SCHEMBL579555 0.76 NR4A2 (0.65) HDAC1HDAC2NR4A2HTR3ACA12
SCHEMBL31601057 0.76 NR4A2 (0.69) HDAC1HDAC2NR4A2HTR3ACA12
SCHEMBL11553625 0.76 NR4A2 (0.69) HDAC1HDAC2NR4A2HTR3ACA12
SCHEMBL13335120 0.76 NR4A2 (0.69) HDAC1HDAC2NR4A2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT HDAC1 100/4885HDAC2 256/4885NR4A2 1041/4885

“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.