SCHEMBL408830

SCHEMBL408830

NCCNC(=O)c1cn(-c2ccccc2F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 4/20 0.49
CREBBP Q92793 2/20 0.46
HSD17B10 Q99714 1/20 0.45
SCN2B O60939 1/20 0.42
SCN1B Q07699 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 1/20 0.41
RORC P51449 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40

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
Hydrochloric Acid SCHEMBL441849 0.99 HDAC1 (0.48) HDAC1HDAC2CREBBPHSD17B10SCN2B
SCHEMBL407789 0.83 HDAC1 (0.65) HDAC1HDAC2CREBBPLMNAHDAC3
SCHEMBL440604 0.76 NR4A2 (0.66) LMNAMAPTSMN1; SMN2GAAPOLB
SCHEMBL12462425 0.73 NPC1 (0.68) HDAC1HDAC2MAPTSMN1; SMN2HDAC3
SCHEMBL27537560 0.72 LMNA (0.51) LMNARORCCYP3A4CYP2C9
SCHEMBL3861140 0.69 TSHR (0.60) LMNAMAPTHTTSMN1; SMN2
SCHEMBL18539312 0.68 CYP3A4 (0.40) CREBBPSCN2BSCN1BSCN5ASCN9A
SCHEMBL23940144 0.68 CREBBP (0.49) HDAC1HDAC2CREBBPLMNAHDAC3
SCHEMBL3996474 0.67 NR4A2 (0.64) HDAC1HDAC2LMNARORCCYP3A4
SCHEMBL1913803 0.66 HPGD (0.64) HDAC1HDAC2HDAC3

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-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

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 256/4885CREBBP 314/4885

“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.