SCHEMBL14768751

SCHEMBL14768751

CCOc1ccc2c(NNC(=O)c3cnccn3)c3c(nc2c1)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
ACHE P22303 7/20 0.46
BCHE P06276 3/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL15946336 0.86 ACHE (0.50) NPC1RAB9ASMN1; SMN2ACHEBCHE
SCHEMBL16729242 0.78 NPC1 (0.52) TP53NPC1RAB9AKDM4EGLA
SCHEMBL10062380 0.70 KDM5A (0.70) MAPTACHEBCHEHTT
SCHEMBL16496746 0.65 RAB9A (1.00) TP53NPC1RAB9AKDM4EGLA
SCHEMBL9926442 0.63 BCHE (1.00) NPC1MAPTACHEBCHE
SCHEMBL3798774 0.61 HTT (0.55) MAPTACHEBCHEHTT
SCHEMBL6705932 0.61 NPC1 (0.61) TP53NPC1RAB9AKDM4EGLA
SCHEMBL18974033 0.59 KDM4E (0.55) TP53NPC1RAB9AKDM4EMAPT
SCHEMBL13885354 0.59 ACHE (0.71) TP53KDM4EMAPTACHEBCHE
SCHEMBL27805412 0.59 RAB9A (0.57) TP53NPC1RAB9AKDM4EMAPT

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-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 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 (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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 TP53 446/4885NPC1 2518/4885RAB9A 3431/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 TP53 1568/4885NPC1 1169/4885RAB9A 3774/4885

“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.