SCHEMBL14768697

SCHEMBL14768697

COc1ccc(NC(=O)Nc2ccc(-c3nc4ccc(-c5nc6ccc(C)c(S(=O)(=O)O)c6s5)cc4s3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
NT5E P21589 1/20 0.55
CASP1 P29466 1/20 0.55
RECQL P46063 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
APP P05067 2/20 0.49
SULT1A1 P50225 1/20 0.48
MGLL Q99685 1/20 0.48
MAPT P10636 6/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CSNK1D P48730 1/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL14768662 0.92 NPC1 (0.55) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768678 0.91 ALDH1A1 (0.59) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768724 0.90 ALDH1A1 (0.58) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768667 0.89 SMN1; SMN2 (0.57) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768770 0.89 ALDH1A1 (0.57) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768730 0.88 HPGD (0.58) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768719 0.87 SMN1; SMN2 (0.61) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768745 0.86 ALDH1A1 (0.54) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL14768675 0.84 NPC1 (0.54) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL15939872 0.83 MMP2 (0.60) SMN1; SMN2TP53ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
WO-2013036749-A1 HCV HELICASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF KANSAS (US) 2013-03-14 WO 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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 SMN1; SMN2 3980/4885TP53 446/4885ALDH1A1 1138/4885

“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.