SCHEMBL14768700

SCHEMBL14768700

Cc1ccc2nc(-c3ccc4nc(-c5ccc(NC(=O)c6ccc(C(C)(C)C)cc6)cc5)sc4c3)sc2c1S(=O)(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 3/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
NT5E P21589 1/20 0.53
CASP1 P29466 1/20 0.53
RECQL P46063 1/20 0.53
CASP7 P55210 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 5/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
ATIC P31939 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL15940381 0.92 TP53 (0.52) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768625 0.92 MAPT (0.58) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768600 0.90 SMN1; SMN2 (0.54) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768727 0.90 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768681 0.90 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL15940177 0.90 TP53 (0.54) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL15939872 0.90 MMP2 (0.60) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768675 0.90 NPC1 (0.54) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768687 0.89 SMN1; SMN2 (0.55) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL14768662 0.89 NPC1 (0.55) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10

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
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-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
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 ALDH1A1 1138/4885HPGD 653/4885SMN1; SMN2 3980/4885

“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.