SCHEMBL14768675

SCHEMBL14768675

COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(-c5nc6ccc(C)c(S(=O)(=O)O)c6s5)cc4s3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 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 6/20 0.51
LMNA P02545 1/20 0.51

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) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL14768625 0.92 MAPT (0.58) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL15940177 0.90 TP53 (0.54) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL14768681 0.90 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14768600 0.90 SMN1; SMN2 (0.54) RXFP1SMN1; SMN2HPGDALDH1A1TP53
SCHEMBL14768727 0.90 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL15939872 0.90 MMP2 (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14768700 0.90 ALDH1A1 (0.53) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL14768687 0.89 SMN1; SMN2 (0.55) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL15940381 0.89 TP53 (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 2518/4885RAB9A 3431/4885KMT2A 3831/4885

“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.