SCHEMBL10061968

SCHEMBL10061968

O=C(NCCCn1ccnc1)c1c2ccccc2nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 5/20 0.62
GLA P06280 2/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
NPC1 O15118 1/20 0.60
NAMPT P43490 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.58

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
SCHEMBL14553836 0.83 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1775216 0.82 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15894134 0.82 KDM4E (0.92) KDM4ETDP1SMN1; SMN2ALDH1A1GLA
SCHEMBL15894138 0.81 KDM4E (0.67) KDM4ETDP1SMN1; SMN2ALDH1A1GLA
SCHEMBL14552329 0.80 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL10856486 0.80 MEN1 (0.70) KDM4ETDP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16378238 0.80 KDM4E (1.00) KDM4ETDP1SMN1; SMN2ALDH1A1GLA
SCHEMBL14552380 0.79 KDM4E (0.65) KDM4ETDP1SMN1; SMN2ALDH1A1GLA
SCHEMBL21808929 0.79 ALDH1A1 (0.74) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30087232 0.78 NPSR1 (0.67) KDM4ESMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (2 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B KDM4E 1406/4885TDP1 667/4885SMN1; SMN2 981/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 KDM4E 2555/4885TDP1 262/4885SMN1; SMN2 2655/4885

“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.