SCHEMBL17035964

SCHEMBL17035964

[2H]c1cnc2ccc(C(CC(=O)OCC)c3ccccc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PDE4D Q08499 1/20 0.41
FFAR1 O14842 1/20 0.41
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
TACR3 P29371 1/20 0.37
MET P08581 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL17953926 0.80 PDE4D (0.48) ALDH1A1SMN1; SMN2LMNAPDE4DSLC6A2
SCHEMBL7178642 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNATSHRMAPT
SCHEMBL17035965 0.77 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAPDE4DSLC6A2
SCHEMBL12600089 0.76 KDM4E (0.48) ALDH1A1SMN1; SMN2LMNAALOX5KDM4E
SCHEMBL17035963 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAALOX5KDM4E
SCHEMBL17035966 0.74 HRH1 (0.49) ALDH1A1SMN1; SMN2LMNAPDE4DKDM4E
SCHEMBL8999335 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAFFAR1KDM4E
SCHEMBL17035968 0.74 PDE4A (0.38) ALDH1A1SMN1; SMN2LMNAPDE4DSLC6A2
SCHEMBL17035971 0.73 MET (0.43) ALDH1A1SMN1; SMN2LMNAKDM4EMET
SCHEMBL6341119 0.73 ALDH1A1 (0.49) ALDH1A1LMNAFFAR1KDM4ETSHR

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-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20160213677-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-07-28 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 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-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 ALDH1A1 1761/4885SMN1; SMN2 2305/4885LMNA 671/4885
US-20160213677-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 ALDH1A1 1761/4885SMN1; SMN2 2305/4885LMNA 671/4885

“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.