SCHEMBL19865073

SCHEMBL19865073

NCCCCCC(=O)NCc1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP3A4 P08684 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.53
EPHX2 P34913 1/20 0.53
PRSS1 P07477 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
STS P08842 1/20 0.49
MMP2 P08253 1/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL15678793 0.86 LMNA (0.76) TPSAB1MEN1KMT2ACYP3A4CA1
SCHEMBL5696317 0.86 HPGD (0.68) TPSAB1MEN1KMT2ACYP3A4CA1
SCHEMBL11434850 0.85 MEN1 (0.83) TPSAB1MEN1KMT2ACYP3A4LMNA
SCHEMBL14623873 0.85 MEN1 (0.83) TPSAB1MEN1KMT2ACYP3A4LMNA
SCHEMBL583496 0.84 CA1 (0.60) MEN1KMT2ACA1CA2HDAC3
SCHEMBL1951979 0.84 KMT2A (0.61) TPSAB1MEN1KMT2ACYP3A4CA1
Hydrochloric Acid SCHEMBL5474583 0.84 HPGD (0.66) TPSAB1MEN1KMT2ACYP3A4CA1
SCHEMBL8499126 0.83 MEN1 (0.80) TPSAB1MEN1KMT2ACYP3A4CA1
SCHEMBL16856545 0.83 TPSAB1 (0.58) TPSAB1MEN1KMT2ACYP3A4CA1
SCHEMBL14102601 0.83 CYP3A4 (0.70) TPSAB1MEN1KMT2ACYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TPSAB1 4407/4885MEN1 3505/4885KMT2A 1287/4885

“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.