SCHEMBL17035971

SCHEMBL17035971

[2H]c1cnc2ccc(C(O)c3ccccc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM5A P29375 1/20 0.37
CHEK2 O96017 3/20 0.36
NR3C1 P04150 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MCL1 Q07820 1/20 0.34
PABPC1 P11940 1/20 0.34

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
SCHEMBL8917474 0.86 MET (0.54) METSMN1; SMN2LMNAALDH1A1NR3C1
SCHEMBL17035965 0.80 LMNA (0.41) METSMN1; SMN2LMNAALDH1A1NR3C1
SCHEMBL31023643 0.79 NPC1 (0.57) METSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL17953926 0.78 PDE4D (0.48) METSMN1; SMN2LMNAALDH1A1NR3C1
SCHEMBL17035969 0.78 LMNA (0.39) METSMN1; SMN2LMNAALDH1A1NR3C1
SCHEMBL17035966 0.77 HRH1 (0.49) METSMN1; SMN2LMNAALDH1A1NR3C1
SCHEMBL9192602 0.77 SMN1; SMN2 (0.47) METSMN1; SMN2LMNAALDH1A1KDM5A
SCHEMBL29660594 0.75 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1CHEK2HPGD
SCHEMBL17035964 0.73 ALDH1A1 (0.46) METSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL7097024 0.73 ALDH1A1 (0.51) METSMN1; SMN2LMNAALDH1A1KDM5A

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 MET 3487/4885SMN1; SMN2 2305/4885LMNA 671/4885
US-20160213677-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 MET 3487/4885SMN1; 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.